2-methyl-1-(2-methylbutoxy)butane;N,N,N',N'-tetrakis(2-methylpropyl)ethane-1,2-diamine

C28H62N2O — CID 54515766

IUPAC2-methyl-1-(2-methylbutoxy)butane;N,N,N',N'-tetrakis(2-methylpropyl)ethane-1,2-diamine
SMILESCC(C)CN(CCN(CC(C)C)CC(C)C)CC(C)C.CCC(C)COCC(C)CC
InChIInChI=1S/C18H40N2.C10H22O/c1-15(2)11-19(12-16(3)4)9-10-20(13-17(5)6)14-18(7)8;1-5-9(3)7-11-8-10(4)6-2/h15-18H,9-14H2,1-8H3;9-10H,5-8H2,1-4H3
InChIKeyYMHKSDDVGQONAU-UHFFFAOYSA-N
MW442.82 g/mol
LogP7.31
Rot. Bonds17

About 2-methyl-1-(2-methylbutoxy)butane;N,N,N',N'-tetrakis(2-methylpropyl)ethane-1,2-diamine

2-methyl-1-(2-methylbutoxy)butane;N,N,N',N'-tetrakis(2-methylpropyl)ethane-1,2-diamine (PubChem CID 54515766) has the molecular formula C28H62N2O and a molecular weight of 442.82 g/mol. Its IUPAC name is 2-methyl-1-(2-methylbutoxy)butane;N,N,N',N'-tetrakis(2-methylpropyl)ethane-1,2-diamine.

Molecular Properties

Compound Name2-methyl-1-(2-methylbutoxy)butane;N,N,N',N'-tetrakis(2-methylpropyl)ethane-1,2-diamine
PubChem CID54515766
Molecular FormulaC28H62N2O
Molecular Weight442.82 g/mol
Exact Mass442.49
IUPAC Name2-methyl-1-(2-methylbutoxy)butane;N,N,N',N'-tetrakis(2-methylpropyl)ethane-1,2-diamine
SMILESCC(C)CN(CCN(CC(C)C)CC(C)C)CC(C)C.CCC(C)COCC(C)CC
InChIInChI=1S/C18H40N2.C10H22O/c1-15(2)11-19(12-16(3)4)9-10-20(13-17(5)6)14-18(7)8;1-5-9(3)7-11-8-10(4)6-2/h15-18H,9-14H2,1-8H3;9-10H,5-8H2,1-4H3
InChIKeyYMHKSDDVGQONAU-UHFFFAOYSA-N
XLogP7.31
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.82
LogP ≤ 57.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-methyl-1-(2-methylbutoxy)butane;N,N,N',N'-tetrakis(2-methylpropyl)ethane-1,2-diamine with MolForge

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Related Compounds

3,6,10,13-Tetramethyl-1-oxa-6,10-diazacyclotetradecane
CID 15420794
N'-(2-butoxyethyl)-N'-ethyl-N,N-dimethylethane-1,2-diamine;2-methylpropane
CID 155751068
N-(2-methoxyethyl)-N,2-dimethylpropan-1-amine;N,N,N'-trimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 159493981
N-butyl-N-[1-[1-[butyl(3-methylbutyl)amino]ethoxy]ethyl]-3-methylbutan-1-amine
CID 162353475
N'-ethyl-N-methyl-N-[2-(4-methylpentoxy)ethyl]-N'-(2-methylpropyl)ethane-1,2-diamine
CID 164557293
Ethane;1-ethyl-4-methylpiperazine;1-methoxy-3-methylbutane
CID 166092530
ethane;1-methoxy-3-methylbutane;N,N,N',N'-tetramethylethane-1,2-diamine
CID 166093822
ethane;N-ethyl-N,N'-dimethyl-N'-[3-(2-methylpropoxy)propyl]ethane-1,2-diamine
CID 166168805
1-[3-(3-Methylbutoxy)propyl]-4-(2-methylpropyl)piperazine
CID 168243389
1-(4-Butoxybutyl)-4-(2-methylbutyl)piperazine;ethane
CID 170953380
1-[3-(3-Methylbutoxy)propyl]-4-propylpiperazine
CID 178164802
N-ethyl-N,N'-dimethyl-N'-[3-(2-methylpropoxy)propyl]ethane-1,2-diamine
CID 166168806

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methylbutoxy)butane;N,N,N',N'-tetrakis(2-methylpropyl)ethane-1,2-diamine?
The IUPAC name of 2-methyl-1-(2-methylbutoxy)butane;N,N,N',N'-tetrakis(2-methylpropyl)ethane-1,2-diamine (CID 54515766) is 2-methyl-1-(2-methylbutoxy)butane;N,N,N',N'-tetrakis(2-methylpropyl)ethane-1,2-diamine.
What is the SMILES notation for 2-methyl-1-(2-methylbutoxy)butane;N,N,N',N'-tetrakis(2-methylpropyl)ethane-1,2-diamine?
The canonical SMILES for 2-methyl-1-(2-methylbutoxy)butane;N,N,N',N'-tetrakis(2-methylpropyl)ethane-1,2-diamine is CC(C)CN(CCN(CC(C)C)CC(C)C)CC(C)C.CCC(C)COCC(C)CC.
What is the InChIKey of 2-methyl-1-(2-methylbutoxy)butane;N,N,N',N'-tetrakis(2-methylpropyl)ethane-1,2-diamine?
The InChIKey is YMHKSDDVGQONAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H40N2.C10H22O/c1-15(2)11-19(12-16(3)4)9-10-20(13-17(5)6)14-18(7)8;1-5-9(3)7-11-8-10(4)6-2/h15-18H,9-14H2,1-8H3;9-10H,5-8H2,1-4H3.
What are the key properties of 2-methyl-1-(2-methylbutoxy)butane;N,N,N',N'-tetrakis(2-methylpropyl)ethane-1,2-diamine?
2-methyl-1-(2-methylbutoxy)butane;N,N,N',N'-tetrakis(2-methylpropyl)ethane-1,2-diamine has a molecular weight of 442.82 g/mol, XLogP of 7.31, 17 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methylbutoxy)butane;N,N,N',N'-tetrakis(2-methylpropyl)ethane-1,2-diamine is sourced from PubChem (CID 54515766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).