4-methylpentane-1,2-diamine;dihydrochloride

C6H18Cl2N2 — CID 18705593

IUPAC4-methylpentane-1,2-diamine;dihydrochloride
SMILESCC(C)CC(N)CN.Cl.Cl
InChIInChI=1S/C6H16N2.2ClH/c1-5(2)3-6(8)4-7;;/h5-6H,3-4,7-8H2,1-2H3;2*1H
InChIKeyNCDNAUBCSHFYIK-UHFFFAOYSA-N
MW189.13 g/mol
LogP1.16
Rot. Bonds3

About 4-methylpentane-1,2-diamine;dihydrochloride

4-methylpentane-1,2-diamine;dihydrochloride (PubChem CID 18705593) has the molecular formula C6H18Cl2N2 and a molecular weight of 189.13 g/mol. Its IUPAC name is 4-methylpentane-1,2-diamine;dihydrochloride.

Molecular Properties

Compound Name4-methylpentane-1,2-diamine;dihydrochloride
PubChem CID18705593
Molecular FormulaC6H18Cl2N2
Molecular Weight189.13 g/mol
Exact Mass188.08
IUPAC Name4-methylpentane-1,2-diamine;dihydrochloride
SMILESCC(C)CC(N)CN.Cl.Cl
InChIInChI=1S/C6H16N2.2ClH/c1-5(2)3-6(8)4-7;;/h5-6H,3-4,7-8H2,1-2H3;2*1H
InChIKeyNCDNAUBCSHFYIK-UHFFFAOYSA-N
XLogP1.16
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.13
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-methylpentane-1,2-diamine;dihydrochloride 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

4-Methylhexan-2-amine--hydrogen chloride (1/1)
CID 44118858
4-Methylpentane-1,2-diamine
CID 3064226
2,4-Dimethylpentane-1,2-diamine
CID 3062927
(S)-4-methylpentane-1,2-diamine
CID 10942394
(racemic+meso) 2-Methyl-pentane-1,4-diamine
CID 15599591
1,3-Dimethylbutylamine hydrochloride
CID 18769944
(3S,4S)-2,5-Dimethylhexane-3,4-diamine dihydrochloride
CID 25191804
(3S,4S)-2,5-Dimethylhexane-3,4-diamine
CID 25191805
3-Methylbutane-1,2-diamine dihydrochloride
CID 54592856
(3S,4S)-(+)-2,5-Dimethyl-3,4-hexanediamine dihydrochloride
CID 74404306
4,4-Dimethylpentane-1,2-diamine dihydrochloride
CID 91662941
(3S)-5-Methylhexane-1,3-diamine
CID 11073452

Frequently Asked Questions

What is the IUPAC name of 4-methylpentane-1,2-diamine;dihydrochloride?
The IUPAC name of 4-methylpentane-1,2-diamine;dihydrochloride (CID 18705593) is 4-methylpentane-1,2-diamine;dihydrochloride.
What is the SMILES notation for 4-methylpentane-1,2-diamine;dihydrochloride?
The canonical SMILES for 4-methylpentane-1,2-diamine;dihydrochloride is CC(C)CC(N)CN.Cl.Cl.
What is the InChIKey of 4-methylpentane-1,2-diamine;dihydrochloride?
The InChIKey is NCDNAUBCSHFYIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2.2ClH/c1-5(2)3-6(8)4-7;;/h5-6H,3-4,7-8H2,1-2H3;2*1H.
What are the key properties of 4-methylpentane-1,2-diamine;dihydrochloride?
4-methylpentane-1,2-diamine;dihydrochloride has a molecular weight of 189.13 g/mol, XLogP of 1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylpentane-1,2-diamine;dihydrochloride is sourced from PubChem (CID 18705593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).