4-[6-amino-6-(dimethylamino)-2-methylhexan-3-yl]oxy-1-N',1-N',5-trimethylhexane-1,1-diamine

C18H42N4O — CID 88747118

IUPAC4-[6-amino-6-(dimethylamino)-2-methylhexan-3-yl]oxy-1-N',1-N',5-trimethylhexane-1,1-diamine
SMILESCC(C)C(CCC(N)N(C)C)OC(CCC(N)N(C)C)C(C)C
InChIInChI=1S/C18H42N4O/c1-13(2)15(9-11-17(19)21(5)6)23-16(14(3)4)10-12-18(20)22(7)8/h13-18H,9-12,19-20H2,1-8H3
InChIKeyPZMRJLZBBCMVRD-UHFFFAOYSA-N
MW330.56 g/mol
LogP2.31
Rot. Bonds12

About 4-[6-amino-6-(dimethylamino)-2-methylhexan-3-yl]oxy-1-N',1-N',5-trimethylhexane-1,1-diamine

4-[6-amino-6-(dimethylamino)-2-methylhexan-3-yl]oxy-1-N',1-N',5-trimethylhexane-1,1-diamine (PubChem CID 88747118) has the molecular formula C18H42N4O and a molecular weight of 330.56 g/mol. Its IUPAC name is 4-[6-amino-6-(dimethylamino)-2-methylhexan-3-yl]oxy-1-N',1-N',5-trimethylhexane-1,1-diamine.

Molecular Properties

Compound Name4-[6-amino-6-(dimethylamino)-2-methylhexan-3-yl]oxy-1-N',1-N',5-trimethylhexane-1,1-diamine
PubChem CID88747118
Molecular FormulaC18H42N4O
Molecular Weight330.56 g/mol
Exact Mass330.34
IUPAC Name4-[6-amino-6-(dimethylamino)-2-methylhexan-3-yl]oxy-1-N',1-N',5-trimethylhexane-1,1-diamine
SMILESCC(C)C(CCC(N)N(C)C)OC(CCC(N)N(C)C)C(C)C
InChIInChI=1S/C18H42N4O/c1-13(2)15(9-11-17(19)21(5)6)23-16(14(3)4)10-12-18(20)22(7)8/h13-18H,9-12,19-20H2,1-8H3
InChIKeyPZMRJLZBBCMVRD-UHFFFAOYSA-N
XLogP2.31
TPSA67.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.56
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[6-amino-6-(dimethylamino)-2-methylhexan-3-yl]oxy-1-N',1-N',5-trimethylhexane-1,1-diamine with MolForge

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Related Compounds

1-N',1-N'-dimethylpentane-1,1-diamine
CID 18183747
1-N',1-N'-dimethylhexane-1,1-diamine
CID 11857682
2-methyl-3-(2-methyloctadecan-3-yloxy)octadecane
CID 19369989
(1R)-1-N',1-N'-dimethylpropane-1,1-diamine
CID 92569177
[(3R,6R)-2,7-dimethyl-6-methylsulfonyloxyoctan-3-yl] methanesulfonate
CID 134886096
3-N,3-N-dimethylhexane-2,3-diamine
CID 116904410
3-(2-aminopentan-3-yloxy)pentan-2-amine
CID 175582089
2-(1-amino-2-methylpropoxy)-1-N,1-N,1-N',1-N'-tetramethylethane-1,1-diamine
CID 57098309
2-(2-hydroxyethoxy)ethanol;2-methyl-3-(2-methylhexan-3-yloxy)hexane
CID 118255040
3-[[3-amino-3-(dimethylamino)propyl]amino]propanenitrile
CID 88621674
3-N,3-N,4-N,4-N-tetramethylhexane-1,3,4,6-tetramine
CID 57125116
1-N,1-N-dimethylpropane-1,2-diamine;dihydrochloride
CID 22731000

Frequently Asked Questions

What is the IUPAC name of 4-[6-amino-6-(dimethylamino)-2-methylhexan-3-yl]oxy-1-N',1-N',5-trimethylhexane-1,1-diamine?
The IUPAC name of 4-[6-amino-6-(dimethylamino)-2-methylhexan-3-yl]oxy-1-N',1-N',5-trimethylhexane-1,1-diamine (CID 88747118) is 4-[6-amino-6-(dimethylamino)-2-methylhexan-3-yl]oxy-1-N',1-N',5-trimethylhexane-1,1-diamine.
What is the SMILES notation for 4-[6-amino-6-(dimethylamino)-2-methylhexan-3-yl]oxy-1-N',1-N',5-trimethylhexane-1,1-diamine?
The canonical SMILES for 4-[6-amino-6-(dimethylamino)-2-methylhexan-3-yl]oxy-1-N',1-N',5-trimethylhexane-1,1-diamine is CC(C)C(CCC(N)N(C)C)OC(CCC(N)N(C)C)C(C)C.
What is the InChIKey of 4-[6-amino-6-(dimethylamino)-2-methylhexan-3-yl]oxy-1-N',1-N',5-trimethylhexane-1,1-diamine?
The InChIKey is PZMRJLZBBCMVRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H42N4O/c1-13(2)15(9-11-17(19)21(5)6)23-16(14(3)4)10-12-18(20)22(7)8/h13-18H,9-12,19-20H2,1-8H3.
What are the key properties of 4-[6-amino-6-(dimethylamino)-2-methylhexan-3-yl]oxy-1-N',1-N',5-trimethylhexane-1,1-diamine?
4-[6-amino-6-(dimethylamino)-2-methylhexan-3-yl]oxy-1-N',1-N',5-trimethylhexane-1,1-diamine has a molecular weight of 330.56 g/mol, XLogP of 2.31, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-amino-6-(dimethylamino)-2-methylhexan-3-yl]oxy-1-N',1-N',5-trimethylhexane-1,1-diamine is sourced from PubChem (CID 88747118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).