3-methyl-1-N,1-N-bis(3-methylbutyl)-2-N-propylpentane-1,2-diamine

C19H42N2 — CID 107869654

IUPAC3-methyl-1-N,1-N-bis(3-methylbutyl)-2-N-propylpentane-1,2-diamine
SMILESCCCNC(CN(CCC(C)C)CCC(C)C)C(C)CC
InChIInChI=1S/C19H42N2/c1-8-12-20-19(18(7)9-2)15-21(13-10-16(3)4)14-11-17(5)6/h16-20H,8-15H2,1-7H3
InChIKeyBDJMGEDSEJVIDH-UHFFFAOYSA-N
MW298.56 g/mol
LogP4.79
Rot. Bonds13

About 3-methyl-1-N,1-N-bis(3-methylbutyl)-2-N-propylpentane-1,2-diamine

3-methyl-1-N,1-N-bis(3-methylbutyl)-2-N-propylpentane-1,2-diamine (PubChem CID 107869654) has the molecular formula C19H42N2 and a molecular weight of 298.56 g/mol. Its IUPAC name is 3-methyl-1-N,1-N-bis(3-methylbutyl)-2-N-propylpentane-1,2-diamine.

Molecular Properties

Compound Name3-methyl-1-N,1-N-bis(3-methylbutyl)-2-N-propylpentane-1,2-diamine
PubChem CID107869654
Molecular FormulaC19H42N2
Molecular Weight298.56 g/mol
Exact Mass298.33
IUPAC Name3-methyl-1-N,1-N-bis(3-methylbutyl)-2-N-propylpentane-1,2-diamine
SMILESCCCNC(CN(CCC(C)C)CCC(C)C)C(C)CC
InChIInChI=1S/C19H42N2/c1-8-12-20-19(18(7)9-2)15-21(13-10-16(3)4)14-11-17(5)6/h16-20H,8-15H2,1-7H3
InChIKeyBDJMGEDSEJVIDH-UHFFFAOYSA-N
XLogP4.79
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.56
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,1-N-diethyl-4-methyl-3-N-propylheptane-1,3-diamine
CID 107896692
3-methyl-N-propylhexadecan-4-amine
CID 63717053
1-N,1-N-bis(3-methylbutyl)-5-N-propylhexane-1,5-diamine
CID 107869580
3,6-dimethyl-N-propyloctan-4-amine
CID 63716674
3-methyl-1-methylsulfanyl-N-propylpentan-2-amine
CID 79445388
4-[bis(3-methylbutyl)amino]-2-(propylamino)butanenitrile
CID 107870915
3-methoxy-7-methyl-N-propyloctan-4-amine
CID 116715914
1-N-(2-ethoxyethyl)-1-N,3-dimethyl-2-N-propylbutane-1,2-diamine
CID 81058530
1-N,1-N,3-trimethyl-2-N-propylbutane-1,2-diamine
CID 61477298
(2R)-1-N-ethyl-1-N,3-dimethyl-2-N-propylheptane-1,2-diamine
CID 170444896
4-[ethyl(2-methylpropyl)amino]-2-(propylamino)butan-1-ol
CID 64798491
(2S)-1-N,1-N-bis(3-methylbutyl)pentane-1,2-diamine
CID 112737195

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-N,1-N-bis(3-methylbutyl)-2-N-propylpentane-1,2-diamine?
The IUPAC name of 3-methyl-1-N,1-N-bis(3-methylbutyl)-2-N-propylpentane-1,2-diamine (CID 107869654) is 3-methyl-1-N,1-N-bis(3-methylbutyl)-2-N-propylpentane-1,2-diamine.
What is the SMILES notation for 3-methyl-1-N,1-N-bis(3-methylbutyl)-2-N-propylpentane-1,2-diamine?
The canonical SMILES for 3-methyl-1-N,1-N-bis(3-methylbutyl)-2-N-propylpentane-1,2-diamine is CCCNC(CN(CCC(C)C)CCC(C)C)C(C)CC.
What is the InChIKey of 3-methyl-1-N,1-N-bis(3-methylbutyl)-2-N-propylpentane-1,2-diamine?
The InChIKey is BDJMGEDSEJVIDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H42N2/c1-8-12-20-19(18(7)9-2)15-21(13-10-16(3)4)14-11-17(5)6/h16-20H,8-15H2,1-7H3.
What are the key properties of 3-methyl-1-N,1-N-bis(3-methylbutyl)-2-N-propylpentane-1,2-diamine?
3-methyl-1-N,1-N-bis(3-methylbutyl)-2-N-propylpentane-1,2-diamine has a molecular weight of 298.56 g/mol, XLogP of 4.79, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-N,1-N-bis(3-methylbutyl)-2-N-propylpentane-1,2-diamine is sourced from PubChem (CID 107869654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).