1-N,1-N-dibutyl-6-N,6-N-dimethylheptane-1,6-diamine

C17H38N2 — CID 87965126

IUPAC1-N,1-N-dibutyl-6-N,6-N-dimethylheptane-1,6-diamine
SMILESCCCCN(CCCC)CCCCCC(C)N(C)C
InChIInChI=1S/C17H38N2/c1-6-8-14-19(15-9-7-2)16-12-10-11-13-17(3)18(4)5/h17H,6-16H2,1-5H3
InChIKeyYXJGVPOBGUKJJU-UHFFFAOYSA-N
MW270.50 g/mol
LogP4.40
Rot. Bonds13

About 1-N,1-N-dibutyl-6-N,6-N-dimethylheptane-1,6-diamine

1-N,1-N-dibutyl-6-N,6-N-dimethylheptane-1,6-diamine (PubChem CID 87965126) has the molecular formula C17H38N2 and a molecular weight of 270.50 g/mol. Its IUPAC name is 1-N,1-N-dibutyl-6-N,6-N-dimethylheptane-1,6-diamine.

Molecular Properties

Compound Name1-N,1-N-dibutyl-6-N,6-N-dimethylheptane-1,6-diamine
PubChem CID87965126
Molecular FormulaC17H38N2
Molecular Weight270.50 g/mol
Exact Mass270.30
IUPAC Name1-N,1-N-dibutyl-6-N,6-N-dimethylheptane-1,6-diamine
SMILESCCCCN(CCCC)CCCCCC(C)N(C)C
InChIInChI=1S/C17H38N2/c1-6-8-14-19(15-9-7-2)16-12-10-11-13-17(3)18(4)5/h17H,6-16H2,1-5H3
InChIKeyYXJGVPOBGUKJJU-UHFFFAOYSA-N
XLogP4.40
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.50
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-dibutyl-12-methyltridecan-1-amine
CID 139723221
N,N-dimethylnonadecan-2-amine;hydrochloride
CID 175046684
6-N,6-N-dimethyl-1-N,1-N-bis(2-methylpropyl)heptane-1,6-diamine
CID 87338569
N-decyl-12-methyl-N-(12-methyltridecyl)tridecan-1-amine
CID 139723116
8-methyl-N-(8-methylnonyl)-N-octylnonan-1-amine
CID 139723771
N,N-diheptyl-16-methylheptadecan-1-amine
CID 139723972
15-methyl-N,N-di(pentadecyl)hexadecan-1-amine
CID 139722859
N-(9-methyldecyl)-N-octadecyloctadecan-1-amine
CID 139722861
N,N-didodecyl-16-methylheptadecan-1-amine
CID 139723359
N,N-bis(12-methyltridecyl)heptadecan-1-amine
CID 139722647
N-heptyl-7-methyl-N-(7-methyloctyl)octan-1-amine
CID 139723142
N-(12-methyltridecyl)-N-octadecyloctadecan-1-amine
CID 139723792

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-dibutyl-6-N,6-N-dimethylheptane-1,6-diamine?
The IUPAC name of 1-N,1-N-dibutyl-6-N,6-N-dimethylheptane-1,6-diamine (CID 87965126) is 1-N,1-N-dibutyl-6-N,6-N-dimethylheptane-1,6-diamine.
What is the SMILES notation for 1-N,1-N-dibutyl-6-N,6-N-dimethylheptane-1,6-diamine?
The canonical SMILES for 1-N,1-N-dibutyl-6-N,6-N-dimethylheptane-1,6-diamine is CCCCN(CCCC)CCCCCC(C)N(C)C.
What is the InChIKey of 1-N,1-N-dibutyl-6-N,6-N-dimethylheptane-1,6-diamine?
The InChIKey is YXJGVPOBGUKJJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H38N2/c1-6-8-14-19(15-9-7-2)16-12-10-11-13-17(3)18(4)5/h17H,6-16H2,1-5H3.
What are the key properties of 1-N,1-N-dibutyl-6-N,6-N-dimethylheptane-1,6-diamine?
1-N,1-N-dibutyl-6-N,6-N-dimethylheptane-1,6-diamine has a molecular weight of 270.50 g/mol, XLogP of 4.40, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-dibutyl-6-N,6-N-dimethylheptane-1,6-diamine is sourced from PubChem (CID 87965126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).