1-N,2-dimethyl-1-N-(2-methylbutyl)heptane-1,6-diamine

C14H32N2 — CID 65296431

IUPAC1-N,2-dimethyl-1-N-(2-methylbutyl)heptane-1,6-diamine
SMILESCCC(C)CN(C)CC(C)CCCC(C)N
InChIInChI=1S/C14H32N2/c1-6-12(2)10-16(5)11-13(3)8-7-9-14(4)15/h12-14H,6-11,15H2,1-5H3
InChIKeySBBOSCBRWHSCMN-UHFFFAOYSA-N
MW228.42 g/mol
LogP3.12
Rot. Bonds9

About 1-N,2-dimethyl-1-N-(2-methylbutyl)heptane-1,6-diamine

1-N,2-dimethyl-1-N-(2-methylbutyl)heptane-1,6-diamine (PubChem CID 65296431) has the molecular formula C14H32N2 and a molecular weight of 228.42 g/mol. Its IUPAC name is 1-N,2-dimethyl-1-N-(2-methylbutyl)heptane-1,6-diamine.

Molecular Properties

Compound Name1-N,2-dimethyl-1-N-(2-methylbutyl)heptane-1,6-diamine
PubChem CID65296431
Molecular FormulaC14H32N2
Molecular Weight228.42 g/mol
Exact Mass228.26
IUPAC Name1-N,2-dimethyl-1-N-(2-methylbutyl)heptane-1,6-diamine
SMILESCCC(C)CN(C)CC(C)CCCC(C)N
InChIInChI=1S/C14H32N2/c1-6-12(2)10-16(5)11-13(3)8-7-9-14(4)15/h12-14H,6-11,15H2,1-5H3
InChIKeySBBOSCBRWHSCMN-UHFFFAOYSA-N
XLogP3.12
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.42
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,2-dimethyl-1-N-(2,2,2-trifluoroethyl)heptane-1,6-diamine
CID 65296437
1-N,2-dimethyl-1-N-pentan-2-ylheptane-1,6-diamine
CID 65296066
N',2-dimethyl-N'-(2-methylbutyl)propane-1,3-diamine
CID 43295447
1-N,2-dimethyl-1-N-[(3-methylphenyl)methyl]heptane-1,6-diamine
CID 65296439
6-methylnonan-2-amine
CID 64502929
1-N,2-dimethyl-1-N-[(4-methyl-1,3-thiazol-5-yl)methyl]heptane-1,6-diamine
CID 65296200
1-N,2-dimethyl-1-N-[(2-methyl-1,3-thiazol-4-yl)methyl]heptane-1,6-diamine
CID 65296187
(2S)-N-ethyl-N,2-dimethylbutan-1-amine
CID 89086806
(3R,7R)-3,7-dimethylnonane
CID 42626759
1-N-ethyl-2-methyl-1-N-(4-methylphenyl)heptane-1,6-diamine
CID 65296088
6-methylnonadecan-2-amine
CID 54497673
ethyl 2-amino-4-[methyl(2-methylbutyl)amino]butanoate
CID 63029409

Frequently Asked Questions

What is the IUPAC name of 1-N,2-dimethyl-1-N-(2-methylbutyl)heptane-1,6-diamine?
The IUPAC name of 1-N,2-dimethyl-1-N-(2-methylbutyl)heptane-1,6-diamine (CID 65296431) is 1-N,2-dimethyl-1-N-(2-methylbutyl)heptane-1,6-diamine.
What is the SMILES notation for 1-N,2-dimethyl-1-N-(2-methylbutyl)heptane-1,6-diamine?
The canonical SMILES for 1-N,2-dimethyl-1-N-(2-methylbutyl)heptane-1,6-diamine is CCC(C)CN(C)CC(C)CCCC(C)N.
What is the InChIKey of 1-N,2-dimethyl-1-N-(2-methylbutyl)heptane-1,6-diamine?
The InChIKey is SBBOSCBRWHSCMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2/c1-6-12(2)10-16(5)11-13(3)8-7-9-14(4)15/h12-14H,6-11,15H2,1-5H3.
What are the key properties of 1-N,2-dimethyl-1-N-(2-methylbutyl)heptane-1,6-diamine?
1-N,2-dimethyl-1-N-(2-methylbutyl)heptane-1,6-diamine has a molecular weight of 228.42 g/mol, XLogP of 3.12, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-dimethyl-1-N-(2-methylbutyl)heptane-1,6-diamine is sourced from PubChem (CID 65296431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).