1-N-heptan-4-yl-1-N,4-dimethylpentane-1,3-diamine

C14H32N2 — CID 115317385

IUPAC1-N-heptan-4-yl-1-N,4-dimethylpentane-1,3-diamine
SMILESCCCC(CCC)N(C)CCC(N)C(C)C
InChIInChI=1S/C14H32N2/c1-6-8-13(9-7-2)16(5)11-10-14(15)12(3)4/h12-14H,6-11,15H2,1-5H3
InChIKeyHFJUYVSCKPWWRW-UHFFFAOYSA-N
MW228.42 g/mol
LogP3.26
Rot. Bonds9

About 1-N-heptan-4-yl-1-N,4-dimethylpentane-1,3-diamine

1-N-heptan-4-yl-1-N,4-dimethylpentane-1,3-diamine (PubChem CID 115317385) has the molecular formula C14H32N2 and a molecular weight of 228.42 g/mol. Its IUPAC name is 1-N-heptan-4-yl-1-N,4-dimethylpentane-1,3-diamine.

Molecular Properties

Compound Name1-N-heptan-4-yl-1-N,4-dimethylpentane-1,3-diamine
PubChem CID115317385
Molecular FormulaC14H32N2
Molecular Weight228.42 g/mol
Exact Mass228.26
IUPAC Name1-N-heptan-4-yl-1-N,4-dimethylpentane-1,3-diamine
SMILESCCCC(CCC)N(C)CCC(N)C(C)C
InChIInChI=1S/C14H32N2/c1-6-8-13(9-7-2)16(5)11-10-14(15)12(3)4/h12-14H,6-11,15H2,1-5H3
InChIKeyHFJUYVSCKPWWRW-UHFFFAOYSA-N
XLogP3.26
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 ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-N-heptan-4-yl-1-N,4-dimethylpentane-1,3-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,4-dimethyl-1-N-(5-methylheptan-3-yl)pentane-1,3-diamine
CID 115317309
1-N,4-dimethyl-1-N-(1-phenylbutyl)pentane-1,3-diamine
CID 115317343
1-N,4-dimethyl-1-N-pentylpentane-1,3-diamine
CID 81490182
1-N,4-dimethyl-1-N-(1-phenylpropan-2-yl)pentane-1,3-diamine
CID 113285453
3-[methyl(propyl)amino]hexan-1-ol
CID 91433041
N-(3-amino-4-methylpentyl)-N-methylpropanamide
CID 81484424
2-[(3-amino-4-methylpentyl)-methylamino]-N-butan-2-ylpropanamide
CID 81491323
4-[heptan-4-yl(methyl)amino]butan-1-ol
CID 88539723
4-[3-[(3-amino-4-methylpentyl)-methylamino]butyl]phenol
CID 115317129
3-N-ethyl-3-N-methylhexane-1,3-diamine
CID 59020922
N-(3-amino-4-methylpentyl)-N-methylpentanamide;hydrochloride
CID 119657793
1-N-[1-(1-adamantyl)ethyl]-1-N,4-dimethylpentane-1,3-diamine
CID 115317354

Frequently Asked Questions

What is the IUPAC name of 1-N-heptan-4-yl-1-N,4-dimethylpentane-1,3-diamine?
The IUPAC name of 1-N-heptan-4-yl-1-N,4-dimethylpentane-1,3-diamine (CID 115317385) is 1-N-heptan-4-yl-1-N,4-dimethylpentane-1,3-diamine.
What is the SMILES notation for 1-N-heptan-4-yl-1-N,4-dimethylpentane-1,3-diamine?
The canonical SMILES for 1-N-heptan-4-yl-1-N,4-dimethylpentane-1,3-diamine is CCCC(CCC)N(C)CCC(N)C(C)C.
What is the InChIKey of 1-N-heptan-4-yl-1-N,4-dimethylpentane-1,3-diamine?
The InChIKey is HFJUYVSCKPWWRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2/c1-6-8-13(9-7-2)16(5)11-10-14(15)12(3)4/h12-14H,6-11,15H2,1-5H3.
What are the key properties of 1-N-heptan-4-yl-1-N,4-dimethylpentane-1,3-diamine?
1-N-heptan-4-yl-1-N,4-dimethylpentane-1,3-diamine has a molecular weight of 228.42 g/mol, XLogP of 3.26, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-heptan-4-yl-1-N,4-dimethylpentane-1,3-diamine is sourced from PubChem (CID 115317385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).