hexane-1,6-diamine;hydrochloride

C6H17ClN2 — CID 45051748

IUPAChexane-1,6-diamine;hydrochloride
SMILESCl.NCCCCCCN
InChIInChI=1S/C6H16N2.ClH/c7-5-3-1-2-4-6-8;/h1-8H2;1H
InChIKeyLDFVINFJZGUOAZ-UHFFFAOYSA-N
MW152.67 g/mol
LogP0.89
Rot. Bonds5

About hexane-1,6-diamine;hydrochloride

hexane-1,6-diamine;hydrochloride (PubChem CID 45051748) has the molecular formula C6H17ClN2 and a molecular weight of 152.67 g/mol. Its IUPAC name is hexane-1,6-diamine;hydrochloride.

Molecular Properties

Compound Namehexane-1,6-diamine;hydrochloride
PubChem CID45051748
Molecular FormulaC6H17ClN2
Molecular Weight152.67 g/mol
Exact Mass152.11
IUPAC Namehexane-1,6-diamine;hydrochloride
SMILESCl.NCCCCCCN
InChIInChI=1S/C6H16N2.ClH/c7-5-3-1-2-4-6-8;/h1-8H2;1H
InChIKeyLDFVINFJZGUOAZ-UHFFFAOYSA-N
XLogP0.89
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.67
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze hexane-1,6-diamine;hydrochloride 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

Cadaverine
CID 273
Hexamethylenediamine
CID 16402
1,8-Octanediamine
CID 24250
1,10-Decanediamine
CID 1317
1,12-Dodecanediamine
CID 17727
1,6-Diaminohexane
CID 1549137
Nonamethylenediamine
CID 69534
1-Hexanamine, hydrochloride (1:1)
CID 67342
1,5-Diaminopentane dihydrochloride
CID 5351467
1,7-Heptanediamine
CID 69533
1,11-Undecanediamine
CID 69966
1,6-Diaminohexane dihydrochloride
CID 2786615

Frequently Asked Questions

What is the IUPAC name of hexane-1,6-diamine;hydrochloride?
The IUPAC name of hexane-1,6-diamine;hydrochloride (CID 45051748) is hexane-1,6-diamine;hydrochloride.
What is the SMILES notation for hexane-1,6-diamine;hydrochloride?
The canonical SMILES for hexane-1,6-diamine;hydrochloride is Cl.NCCCCCCN.
What is the InChIKey of hexane-1,6-diamine;hydrochloride?
The InChIKey is LDFVINFJZGUOAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2.ClH/c7-5-3-1-2-4-6-8;/h1-8H2;1H.
What are the key properties of hexane-1,6-diamine;hydrochloride?
hexane-1,6-diamine;hydrochloride has a molecular weight of 152.67 g/mol, XLogP of 0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hexane-1,6-diamine;hydrochloride is sourced from PubChem (CID 45051748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).