N-[2-[2-[bis(3-methylbutyl)amino]ethoxy]ethyl]-3-methyl-N-(3-methylbutyl)butan-1-amine;4-(2,6-dimethylheptan-4-yloxymethoxy)-2,6-dimethylheptane;2,5-dimethyl-3-[(4-methyl-2-propan-2-ylpentoxy)methoxymethyl]hexane;3-[(2,4-dimethyl-2-propan-2-ylpentoxy)methoxymethyl]-2,3,5-trimethylhexane;4-ethyl-4-[(4-ethyl-2,6-dimethylheptan-4-yl)oxymethoxy]-2,6-dimethylheptane;3-ethyl-3-[(2-ethyl-4-methyl-2-propan-2-ylpentoxy)methoxymethyl]-2,5-dimethylhexane;methane;N,N,N',N'-tetrakis(2,3-dimethylbutyl)ethane-1,2-diamine;2,4,6-trimethyl-4-(2,4,6-trimethylheptan-4-yloxymethoxy)heptane

C200H468N4O13 — CID 158585600

About N-[2-[2-[bis(3-methylbutyl)amino]ethoxy]ethyl]-3-methyl-N-(3-methylbutyl)butan-1-amine;4-(2,6-dimethylheptan-4-yloxymethoxy)-2,6-dimethylheptane;2,5-dimethyl-3-[(4-methyl-2-propan-2-ylpentoxy)methoxymethyl]hexane;3-[(2,4-dimethyl-2-propan-2-ylpentoxy)methoxymethyl]-2,3,5-trimethylhexane;4-ethyl-4-[(4-ethyl-2,6-dimethylheptan-4-yl)oxymethoxy]-2,6-dimethylheptane;3-ethyl-3-[(2-ethyl-4-methyl-2-propan-2-ylpentoxy)methoxymethyl]-2,5-dimethylhexane;methane;N,N,N',N'-tetrakis(2,3-dimethylbutyl)ethane-1,2-diamine;2,4,6-trimethyl-4-(2,4,6-trimethylheptan-4-yloxymethoxy)heptane

N-[2-[2-[bis(3-methylbutyl)amino]ethoxy]ethyl]-3-methyl-N-(3-methylbutyl)butan-1-amine;4-(2,6-dimethylheptan-4-yloxymethoxy)-2,6-dimethylheptane;2,5-dimethyl-3-[(4-methyl-2-propan-2-ylpentoxy)methoxymethyl]hexane;3-[(2,4-dimethyl-2-propan-2-ylpentoxy)methoxymethyl]-2,3,5-trimethylhexane;4-ethyl-4-[(4-ethyl-2,6-dimethylheptan-4-yl)oxymethoxy]-2,6-dimethylheptane;3-ethyl-3-[(2-ethyl-4-methyl-2-propan-2-ylpentoxy)methoxymethyl]-2,5-dimethylhexane;methane;N,N,N',N'-tetrakis(2,3-dimethylbutyl)ethane-1,2-diamine;2,4,6-trimethyl-4-(2,4,6-trimethylheptan-4-yloxymethoxy)heptane (PubChem CID 158585600) has the molecular formula C200H468N4O13 and a molecular weight of 3137.96 g/mol. Its IUPAC name is N-[2-[2-[bis(3-methylbutyl)amino]ethoxy]ethyl]-3-methyl-N-(3-methylbutyl)butan-1-amine;4-(2,6-dimethylheptan-4-yloxymethoxy)-2,6-dimethylheptane;2,5-dimethyl-3-[(4-methyl-2-propan-2-ylpentoxy)methoxymethyl]hexane;3-[(2,4-dimethyl-2-propan-2-ylpentoxy)methoxymethyl]-2,3,5-trimethylhexane;4-ethyl-4-[(4-ethyl-2,6-dimethylheptan-4-yl)oxymethoxy]-2,6-dimethylheptane;3-ethyl-3-[(2-ethyl-4-methyl-2-propan-2-ylpentoxy)methoxymethyl]-2,5-dimethylhexane;methane;N,N,N',N'-tetrakis(2,3-dimethylbutyl)ethane-1,2-diamine;2,4,6-trimethyl-4-(2,4,6-trimethylheptan-4-yloxymethoxy)heptane.

Molecular Properties

• Compound Name: N-[2-[2-[bis(3-methylbutyl)amino]ethoxy]ethyl]-3-methyl-N-(3-methylbutyl)butan-1-amine;4-(2,6-dimethylheptan-4-yloxymethoxy)-2,6-dimethylheptane;2,5-dimethyl-3-[(4-methyl-2-propan-2-ylpentoxy)methoxymethyl]hexane;3-[(2,4-dimethyl-2-propan-2-ylpentoxy)methoxymethyl]-2,3,5-trimethylhexane;4-ethyl-4-[(4-ethyl-2,6-dimethylheptan-4-yl)oxymethoxy]-2,6-dimethylheptane;3-ethyl-3-[(2-ethyl-4-methyl-2-propan-2-ylpentoxy)methoxymethyl]-2,5-dimethylhexane;methane;N,N,N',N'-tetrakis(2,3-dimethylbutyl)ethane-1,2-diamine;2,4,6-trimethyl-4-(2,4,6-trimethylheptan-4-yloxymethoxy)heptane
• PubChem CID: 158585600
• Molecular Formula: C200H468N4O13
• Molecular Weight: 3137.96 g/mol
• Exact Mass: 3135.61
• IUPAC Name: N-[2-[2-[bis(3-methylbutyl)amino]ethoxy]ethyl]-3-methyl-N-(3-methylbutyl)butan-1-amine;4-(2,6-dimethylheptan-4-yloxymethoxy)-2,6-dimethylheptane;2,5-dimethyl-3-[(4-methyl-2-propan-2-ylpentoxy)methoxymethyl]hexane;3-[(2,4-dimethyl-2-propan-2-ylpentoxy)methoxymethyl]-2,3,5-trimethylhexane;4-ethyl-4-[(4-ethyl-2,6-dimethylheptan-4-yl)oxymethoxy]-2,6-dimethylheptane;3-ethyl-3-[(2-ethyl-4-methyl-2-propan-2-ylpentoxy)methoxymethyl]-2,5-dimethylhexane;methane;N,N,N',N'-tetrakis(2,3-dimethylbutyl)ethane-1,2-diamine;2,4,6-trimethyl-4-(2,4,6-trimethylheptan-4-yloxymethoxy)heptane
• SMILES: C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CC(C)C(C)CN(CCN(CC(C)C(C)C)CC(C)C(C)C)CC(C)C(C)C.CC(C)CC(C)(CC(C)C)OCOC(C)(CC(C)C)CC(C)C.CC(C)CC(C)(COCOCC(C)(CC(C)C)C(C)C)C(C)C.CC(C)CC(CC(C)C)OCOC(CC(C)C)CC(C)C.CC(C)CC(COCOCC(CC(C)C)C(C)C)C(C)C.CC(C)CCN(CCOCCN(CCC(C)C)CCC(C)C)CCC(C)C.CCC(CC(C)C)(CC(C)C)OCOC(CC)(CC(C)C)CC(C)C.CCC(COCOCC(CC)(CC(C)C)C(C)C)(CC(C)C)C(C)C
• InChI: InChI=1S/C26H56N2.C24H52N2O.2C23H48O2.2C21H44O2.2C19H40O2.24CH4/c1-19(2)23(9)15-27(16-24(10)20(3)4)13-14-28(17-25(11)21(5)6)18-26(12)22(7)8;1-21(2)9-13-25(14-10-22(3)4)17-19-27-20-18-26(15-11-23(5)6)16-12-24(7)8;1-11-22(20(7)8,13-18(3)4)15-24-17-25-16-23(12-2,21(9)10)14-19(5)6;1-11-22(13-18(3)4,14-19(5)6)24-17-25-23(12-2,15-20(7)8)16-21(9)10;1-16(2)11-20(9,18(5)6)13-22-15-23-14-21(10,19(7)8)12-17(3)4;1-16(2)11-20(9,12-17(3)4)22-15-23-21(10,13-18(5)6)14-19(7)8;1-14(2)9-18(16(5)6)11-20-13-21-12-19(17(7)8)10-15(3)4;1-14(2)9-18(10-15(3)4)20-13-21-19(11-16(5)6)12-17(7)8;;;;;;;;;;;;;;;;;;;;;;;;/h19-26H,13-18H2,1-12H3;21-24H,9-20H2,1-8H3;2*18-21H,11-17H2,1-10H3;2*16-19H,11-15H2,1-10H3;2*14-19H,9-13H2,1-8H3;24*1H4
• InChIKey: HTUBLZNBLIAZSV-UHFFFAOYSA-N
• XLogP: 67.04
• TPSA: 132.95 Ų
• H-Bond Acceptors: 17
• Rotatable Bonds: 109
• Heavy Atoms: 217
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3137.96
LogP ≤ 5	67.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[bis(3-methylbutyl)amino]ethoxy]ethyl]-3-methyl-N-(3-methylbutyl)butan-1-amine;4-(2,6-dimethylheptan-4-yloxymethoxy)-2,6-dimethylheptane;2,5-dimethyl-3-[(4-methyl-2-propan-2-ylpentoxy)methoxymethyl]hexane;3-[(2,4-dimethyl-2-propan-2-ylpentoxy)methoxymethyl]-2,3,5-trimethylhexane;4-ethyl-4-[(4-ethyl-2,6-dimethylheptan-4-yl)oxymethoxy]-2,6-dimethylheptane;3-ethyl-3-[(2-ethyl-4-methyl-2-propan-2-ylpentoxy)methoxymethyl]-2,5-dimethylhexane;methane;N,N,N',N'-tetrakis(2,3-dimethylbutyl)ethane-1,2-diamine;2,4,6-trimethyl-4-(2,4,6-trimethylheptan-4-yloxymethoxy)heptane?

The IUPAC name of N-[2-[2-[bis(3-methylbutyl)amino]ethoxy]ethyl]-3-methyl-N-(3-methylbutyl)butan-1-amine;4-(2,6-dimethylheptan-4-yloxymethoxy)-2,6-dimethylheptane;2,5-dimethyl-3-[(4-methyl-2-propan-2-ylpentoxy)methoxymethyl]hexane;3-[(2,4-dimethyl-2-propan-2-ylpentoxy)methoxymethyl]-2,3,5-trimethylhexane;4-ethyl-4-[(4-ethyl-2,6-dimethylheptan-4-yl)oxymethoxy]-2,6-dimethylheptane;3-ethyl-3-[(2-ethyl-4-methyl-2-propan-2-ylpentoxy)methoxymethyl]-2,5-dimethylhexane;methane;N,N,N',N'-tetrakis(2,3-dimethylbutyl)ethane-1,2-diamine;2,4,6-trimethyl-4-(2,4,6-trimethylheptan-4-yloxymethoxy)heptane (CID 158585600) is N-[2-[2-[bis(3-methylbutyl)amino]ethoxy]ethyl]-3-methyl-N-(3-methylbutyl)butan-1-amine;4-(2,6-dimethylheptan-4-yloxymethoxy)-2,6-dimethylheptane;2,5-dimethyl-3-[(4-methyl-2-propan-2-ylpentoxy)methoxymethyl]hexane;3-[(2,4-dimethyl-2-propan-2-ylpentoxy)methoxymethyl]-2,3,5-trimethylhexane;4-ethyl-4-[(4-ethyl-2,6-dimethylheptan-4-yl)oxymethoxy]-2,6-dimethylheptane;3-ethyl-3-[(2-ethyl-4-methyl-2-propan-2-ylpentoxy)methoxymethyl]-2,5-dimethylhexane;methane;N,N,N',N'-tetrakis(2,3-dimethylbutyl)ethane-1,2-diamine;2,4,6-trimethyl-4-(2,4,6-trimethylheptan-4-yloxymethoxy)heptane.

What is the SMILES notation for N-[2-[2-[bis(3-methylbutyl)amino]ethoxy]ethyl]-3-methyl-N-(3-methylbutyl)butan-1-amine;4-(2,6-dimethylheptan-4-yloxymethoxy)-2,6-dimethylheptane;2,5-dimethyl-3-[(4-methyl-2-propan-2-ylpentoxy)methoxymethyl]hexane;3-[(2,4-dimethyl-2-propan-2-ylpentoxy)methoxymethyl]-2,3,5-trimethylhexane;4-ethyl-4-[(4-ethyl-2,6-dimethylheptan-4-yl)oxymethoxy]-2,6-dimethylheptane;3-ethyl-3-[(2-ethyl-4-methyl-2-propan-2-ylpentoxy)methoxymethyl]-2,5-dimethylhexane;methane;N,N,N',N'-tetrakis(2,3-dimethylbutyl)ethane-1,2-diamine;2,4,6-trimethyl-4-(2,4,6-trimethylheptan-4-yloxymethoxy)heptane?

The canonical SMILES for N-[2-[2-[bis(3-methylbutyl)amino]ethoxy]ethyl]-3-methyl-N-(3-methylbutyl)butan-1-amine;4-(2,6-dimethylheptan-4-yloxymethoxy)-2,6-dimethylheptane;2,5-dimethyl-3-[(4-methyl-2-propan-2-ylpentoxy)methoxymethyl]hexane;3-[(2,4-dimethyl-2-propan-2-ylpentoxy)methoxymethyl]-2,3,5-trimethylhexane;4-ethyl-4-[(4-ethyl-2,6-dimethylheptan-4-yl)oxymethoxy]-2,6-dimethylheptane;3-ethyl-3-[(2-ethyl-4-methyl-2-propan-2-ylpentoxy)methoxymethyl]-2,5-dimethylhexane;methane;N,N,N',N'-tetrakis(2,3-dimethylbutyl)ethane-1,2-diamine;2,4,6-trimethyl-4-(2,4,6-trimethylheptan-4-yloxymethoxy)heptane is C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CC(C)C(C)CN(CCN(CC(C)C(C)C)CC(C)C(C)C)CC(C)C(C)C.CC(C)CC(C)(CC(C)C)OCOC(C)(CC(C)C)CC(C)C.CC(C)CC(C)(COCOCC(C)(CC(C)C)C(C)C)C(C)C.CC(C)CC(CC(C)C)OCOC(CC(C)C)CC(C)C.CC(C)CC(COCOCC(CC(C)C)C(C)C)C(C)C.CC(C)CCN(CCOCCN(CCC(C)C)CCC(C)C)CCC(C)C.CCC(CC(C)C)(CC(C)C)OCOC(CC)(CC(C)C)CC(C)C.CCC(COCOCC(CC)(CC(C)C)C(C)C)(CC(C)C)C(C)C.

What is the InChIKey of N-[2-[2-[bis(3-methylbutyl)amino]ethoxy]ethyl]-3-methyl-N-(3-methylbutyl)butan-1-amine;4-(2,6-dimethylheptan-4-yloxymethoxy)-2,6-dimethylheptane;2,5-dimethyl-3-[(4-methyl-2-propan-2-ylpentoxy)methoxymethyl]hexane;3-[(2,4-dimethyl-2-propan-2-ylpentoxy)methoxymethyl]-2,3,5-trimethylhexane;4-ethyl-4-[(4-ethyl-2,6-dimethylheptan-4-yl)oxymethoxy]-2,6-dimethylheptane;3-ethyl-3-[(2-ethyl-4-methyl-2-propan-2-ylpentoxy)methoxymethyl]-2,5-dimethylhexane;methane;N,N,N',N'-tetrakis(2,3-dimethylbutyl)ethane-1,2-diamine;2,4,6-trimethyl-4-(2,4,6-trimethylheptan-4-yloxymethoxy)heptane?

The InChIKey is HTUBLZNBLIAZSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H56N2.C24H52N2O.2C23H48O2.2C21H44O2.2C19H40O2.24CH4/c1-19(2)23(9)15-27(16-24(10)20(3)4)13-14-28(17-25(11)21(5)6)18-26(12)22(7)8;1-21(2)9-13-25(14-10-22(3)4)17-19-27-20-18-26(15-11-23(5)6)16-12-24(7)8;1-11-22(20(7)8,13-18(3)4)15-24-17-25-16-23(12-2,21(9)10)14-19(5)6;1-11-22(13-18(3)4,14-19(5)6)24-17-25-23(12-2,15-20(7)8)16-21(9)10;1-16(2)11-20(9,18(5)6)13-22-15-23-14-21(10,19(7)8)12-17(3)4;1-16(2)11-20(9,12-17(3)4)22-15-23-21(10,13-18(5)6)14-19(7)8;1-14(2)9-18(16(5)6)11-20-13-21-12-19(17(7)8)10-15(3)4;1-14(2)9-18(10-15(3)4)20-13-21-19(11-16(5)6)12-17(7)8;;;;;;;;;;;;;;;;;;;;;;;;/h19-26H,13-18H2,1-12H3;21-24H,9-20H2,1-8H3;2*18-21H,11-17H2,1-10H3;2*16-19H,11-15H2,1-10H3;2*14-19H,9-13H2,1-8H3;24*1H4.

What are the key properties of N-[2-[2-[bis(3-methylbutyl)amino]ethoxy]ethyl]-3-methyl-N-(3-methylbutyl)butan-1-amine;4-(2,6-dimethylheptan-4-yloxymethoxy)-2,6-dimethylheptane;2,5-dimethyl-3-[(4-methyl-2-propan-2-ylpentoxy)methoxymethyl]hexane;3-[(2,4-dimethyl-2-propan-2-ylpentoxy)methoxymethyl]-2,3,5-trimethylhexane;4-ethyl-4-[(4-ethyl-2,6-dimethylheptan-4-yl)oxymethoxy]-2,6-dimethylheptane;3-ethyl-3-[(2-ethyl-4-methyl-2-propan-2-ylpentoxy)methoxymethyl]-2,5-dimethylhexane;methane;N,N,N',N'-tetrakis(2,3-dimethylbutyl)ethane-1,2-diamine;2,4,6-trimethyl-4-(2,4,6-trimethylheptan-4-yloxymethoxy)heptane?

N-[2-[2-[bis(3-methylbutyl)amino]ethoxy]ethyl]-3-methyl-N-(3-methylbutyl)butan-1-amine;4-(2,6-dimethylheptan-4-yloxymethoxy)-2,6-dimethylheptane;2,5-dimethyl-3-[(4-methyl-2-propan-2-ylpentoxy)methoxymethyl]hexane;3-[(2,4-dimethyl-2-propan-2-ylpentoxy)methoxymethyl]-2,3,5-trimethylhexane;4-ethyl-4-[(4-ethyl-2,6-dimethylheptan-4-yl)oxymethoxy]-2,6-dimethylheptane;3-ethyl-3-[(2-ethyl-4-methyl-2-propan-2-ylpentoxy)methoxymethyl]-2,5-dimethylhexane;methane;N,N,N',N'-tetrakis(2,3-dimethylbutyl)ethane-1,2-diamine;2,4,6-trimethyl-4-(2,4,6-trimethylheptan-4-yloxymethoxy)heptane has a molecular weight of 3137.96 g/mol, XLogP of 67.04, 109 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-[bis(3-methylbutyl)amino]ethoxy]ethyl]-3-methyl-N-(3-methylbutyl)butan-1-amine;4-(2,6-dimethylheptan-4-yloxymethoxy)-2,6-dimethylheptane;2,5-dimethyl-3-[(4-methyl-2-propan-2-ylpentoxy)methoxymethyl]hexane;3-[(2,4-dimethyl-2-propan-2-ylpentoxy)methoxymethyl]-2,3,5-trimethylhexane;4-ethyl-4-[(4-ethyl-2,6-dimethylheptan-4-yl)oxymethoxy]-2,6-dimethylheptane;3-ethyl-3-[(2-ethyl-4-methyl-2-propan-2-ylpentoxy)methoxymethyl]-2,5-dimethylhexane;methane;N,N,N',N'-tetrakis(2,3-dimethylbutyl)ethane-1,2-diamine;2,4,6-trimethyl-4-(2,4,6-trimethylheptan-4-yloxymethoxy)heptane is sourced from PubChem (CID 158585600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).