2-N-heptan-4-yl-1-N,1-N,3-trimethylbutane-1,2-diamine

C14H32N2 — CID 61476883

IUPAC2-N-heptan-4-yl-1-N,1-N,3-trimethylbutane-1,2-diamine
SMILESCCCC(CCC)NC(CN(C)C)C(C)C
InChIInChI=1S/C14H32N2/c1-7-9-13(10-8-2)15-14(12(3)4)11-16(5)6/h12-15H,7-11H2,1-6H3
InChIKeyVJQYQWWPBUEPSH-UHFFFAOYSA-N
MW228.42 g/mol
LogP3.13
Rot. Bonds9

About 2-N-heptan-4-yl-1-N,1-N,3-trimethylbutane-1,2-diamine

2-N-heptan-4-yl-1-N,1-N,3-trimethylbutane-1,2-diamine (PubChem CID 61476883) has the molecular formula C14H32N2 and a molecular weight of 228.42 g/mol. Its IUPAC name is 2-N-heptan-4-yl-1-N,1-N,3-trimethylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-heptan-4-yl-1-N,1-N,3-trimethylbutane-1,2-diamine
PubChem CID61476883
Molecular FormulaC14H32N2
Molecular Weight228.42 g/mol
Exact Mass228.26
IUPAC Name2-N-heptan-4-yl-1-N,1-N,3-trimethylbutane-1,2-diamine
SMILESCCCC(CCC)NC(CN(C)C)C(C)C
InChIInChI=1S/C14H32N2/c1-7-9-13(10-8-2)15-14(12(3)4)11-16(5)6/h12-15H,7-11H2,1-6H3
InChIKeyVJQYQWWPBUEPSH-UHFFFAOYSA-N
XLogP3.13
TPSA15.27 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 ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-N-heptan-4-yl-1-N,1-N,3-trimethylbutane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N,1-N,3-trimethyl-2-N-undecan-6-ylbutane-1,2-diamine
CID 63453736
1-N,1-N,3-trimethyl-2-N-propylbutane-1,2-diamine
CID 61477298
1-N,1-N,4-trimethyl-2-N-(2-methylpentan-3-yl)pentane-1,2-diamine
CID 43792413
4-N-[1-(dimethylamino)-3-methylbutan-2-yl]-5-methoxypentane-1,4-diamine
CID 103389561
(2R)-2-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]pentanamide
CID 103813848
1-N,1-N,3-trimethyl-2-N-(2-propoxyethyl)butane-1,2-diamine
CID 106451802
2-N-(3-methoxybutan-2-yl)-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 115711323
molecular hydrogen;(2R)-1-N,1-N,2-N-trimethylpentane-1,2-diamine
CID 176920896
2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]acetonitrile
CID 61480297
2-hydrazinyl-N,N,4-trimethylheptan-1-amine
CID 105244746
1-N,1-N,3-trimethyl-2-N-(1-methylsulfonylpropan-2-yl)butane-1,2-diamine
CID 64630157
N-(5-methylhexan-2-yl)heptan-4-amine
CID 43097819

Frequently Asked Questions

What is the IUPAC name of 2-N-heptan-4-yl-1-N,1-N,3-trimethylbutane-1,2-diamine?
The IUPAC name of 2-N-heptan-4-yl-1-N,1-N,3-trimethylbutane-1,2-diamine (CID 61476883) is 2-N-heptan-4-yl-1-N,1-N,3-trimethylbutane-1,2-diamine.
What is the SMILES notation for 2-N-heptan-4-yl-1-N,1-N,3-trimethylbutane-1,2-diamine?
The canonical SMILES for 2-N-heptan-4-yl-1-N,1-N,3-trimethylbutane-1,2-diamine is CCCC(CCC)NC(CN(C)C)C(C)C.
What is the InChIKey of 2-N-heptan-4-yl-1-N,1-N,3-trimethylbutane-1,2-diamine?
The InChIKey is VJQYQWWPBUEPSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2/c1-7-9-13(10-8-2)15-14(12(3)4)11-16(5)6/h12-15H,7-11H2,1-6H3.
What are the key properties of 2-N-heptan-4-yl-1-N,1-N,3-trimethylbutane-1,2-diamine?
2-N-heptan-4-yl-1-N,1-N,3-trimethylbutane-1,2-diamine has a molecular weight of 228.42 g/mol, XLogP of 3.13, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-heptan-4-yl-1-N,1-N,3-trimethylbutane-1,2-diamine is sourced from PubChem (CID 61476883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).