1-N,1-N-bis(3-methylbutyl)-5-N-propylhexane-1,5-diamine

C19H42N2 — CID 107869580

IUPAC1-N,1-N-bis(3-methylbutyl)-5-N-propylhexane-1,5-diamine
SMILESCCCNC(C)CCCCN(CCC(C)C)CCC(C)C
InChIInChI=1S/C19H42N2/c1-7-13-20-19(6)10-8-9-14-21(15-11-17(2)3)16-12-18(4)5/h17-20H,7-16H2,1-6H3
InChIKeyJYIADYZIOFIZSI-UHFFFAOYSA-N
MW298.56 g/mol
LogP4.94
Rot. Bonds14

About 1-N,1-N-bis(3-methylbutyl)-5-N-propylhexane-1,5-diamine

1-N,1-N-bis(3-methylbutyl)-5-N-propylhexane-1,5-diamine (PubChem CID 107869580) has the molecular formula C19H42N2 and a molecular weight of 298.56 g/mol. Its IUPAC name is 1-N,1-N-bis(3-methylbutyl)-5-N-propylhexane-1,5-diamine.

Molecular Properties

Compound Name1-N,1-N-bis(3-methylbutyl)-5-N-propylhexane-1,5-diamine
PubChem CID107869580
Molecular FormulaC19H42N2
Molecular Weight298.56 g/mol
Exact Mass298.33
IUPAC Name1-N,1-N-bis(3-methylbutyl)-5-N-propylhexane-1,5-diamine
SMILESCCCNC(C)CCCCN(CCC(C)C)CCC(C)C
InChIInChI=1S/C19H42N2/c1-7-13-20-19(6)10-8-9-14-21(15-11-17(2)3)16-12-18(4)5/h17-20H,7-16H2,1-6H3
InChIKeyJYIADYZIOFIZSI-UHFFFAOYSA-N
XLogP4.94
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.56
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-methylbutyl)-N-octadecyloctadecan-1-amine
CID 139724073
N-heptyl-N-(3-methylbutyl)heptan-1-amine
CID 139723381
N-propylnonan-2-amine
CID 43129664
N-(5-methylhexan-2-yl)-N',N'-dipropylethane-1,2-diamine
CID 62574843
N',N'-bis(3-methylbutyl)-N-propan-2-ylhexane-1,6-diamine
CID 107871319
N'-(3-aminopropyl)-N'-[3-(decan-2-ylamino)propyl]propane-1,3-diamine
CID 90853445
4-N-butyl-1-N,1-N-diethylpentane-1,4-diamine
CID 43178406
4-[bis(3-methylbutyl)amino]-2-(propylamino)butanenitrile
CID 107870915
N-heptan-2-yl-N'-methyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 62560190
N'-[2-(dimethylamino)ethyl]-N-heptan-2-yl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 62555157
15-methyl-N,N-di(pentadecyl)hexadecan-1-amine
CID 139722859
N-(9-methyldecyl)-N-octadecyloctadecan-1-amine
CID 139722861

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-bis(3-methylbutyl)-5-N-propylhexane-1,5-diamine?
The IUPAC name of 1-N,1-N-bis(3-methylbutyl)-5-N-propylhexane-1,5-diamine (CID 107869580) is 1-N,1-N-bis(3-methylbutyl)-5-N-propylhexane-1,5-diamine.
What is the SMILES notation for 1-N,1-N-bis(3-methylbutyl)-5-N-propylhexane-1,5-diamine?
The canonical SMILES for 1-N,1-N-bis(3-methylbutyl)-5-N-propylhexane-1,5-diamine is CCCNC(C)CCCCN(CCC(C)C)CCC(C)C.
What is the InChIKey of 1-N,1-N-bis(3-methylbutyl)-5-N-propylhexane-1,5-diamine?
The InChIKey is JYIADYZIOFIZSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H42N2/c1-7-13-20-19(6)10-8-9-14-21(15-11-17(2)3)16-12-18(4)5/h17-20H,7-16H2,1-6H3.
What are the key properties of 1-N,1-N-bis(3-methylbutyl)-5-N-propylhexane-1,5-diamine?
1-N,1-N-bis(3-methylbutyl)-5-N-propylhexane-1,5-diamine has a molecular weight of 298.56 g/mol, XLogP of 4.94, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-bis(3-methylbutyl)-5-N-propylhexane-1,5-diamine is sourced from PubChem (CID 107869580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).