N-hexylhexan-1-amine;hydrochloride

C12H28ClN — CID 519999

IUPACN-hexylhexan-1-amine;hydrochloride
SMILESCCCCCCNCCCCCC.Cl
InChIInChI=1S/C12H27N.ClH/c1-3-5-7-9-11-13-12-10-8-6-4-2;/h13H,3-12H2,1-2H3;1H
InChIKeyRVRVJRQPLLZZTD-UHFFFAOYSA-N
MW221.82 g/mol
LogP4.16
Rot. Bonds10

About N-hexylhexan-1-amine;hydrochloride

N-hexylhexan-1-amine;hydrochloride (PubChem CID 519999) has the molecular formula C12H28ClN and a molecular weight of 221.82 g/mol. Its IUPAC name is N-hexylhexan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-hexylhexan-1-amine;hydrochloride
PubChem CID519999
Molecular FormulaC12H28ClN
Molecular Weight221.82 g/mol
Exact Mass221.19
IUPAC NameN-hexylhexan-1-amine;hydrochloride
SMILESCCCCCCNCCCCCC.Cl
InChIInChI=1S/C12H27N.ClH/c1-3-5-7-9-11-13-12-10-8-6-4-2;/h13H,3-12H2,1-2H3;1H
InChIKeyRVRVJRQPLLZZTD-UHFFFAOYSA-N
XLogP4.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.82
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-hexylhexan-1-amine;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

N-docosyldocosan-1-amine;hydrochloride
CID 173181498
N-octylnonan-1-amine;hydrochloride
CID 90480847
N-hexyltridecan-1-amine
CID 87659278
octane;N-octylnonan-1-amine
CID 145152206
N-pentylpentan-1-amine;hydrochloride
CID 520044
N-undecyltetradecan-1-amine
CID 166059375
N,N'-diheptyldecane-1,10-diamine
CID 3028161
N,N'-diheptylhexane-1,6-diamine
CID 3028571
methane;N-octyloctan-1-amine
CID 87294693
N-butyltetradecan-1-amine
CID 3548872
N,N'-di(nonyl)ethane-1,2-diamine
CID 151189669
N-hexylhexan-1-amine;N-methylmethanamine
CID 157403903

Frequently Asked Questions

What is the IUPAC name of N-hexylhexan-1-amine;hydrochloride?
The IUPAC name of N-hexylhexan-1-amine;hydrochloride (CID 519999) is N-hexylhexan-1-amine;hydrochloride.
What is the SMILES notation for N-hexylhexan-1-amine;hydrochloride?
The canonical SMILES for N-hexylhexan-1-amine;hydrochloride is CCCCCCNCCCCCC.Cl.
What is the InChIKey of N-hexylhexan-1-amine;hydrochloride?
The InChIKey is RVRVJRQPLLZZTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N.ClH/c1-3-5-7-9-11-13-12-10-8-6-4-2;/h13H,3-12H2,1-2H3;1H.
What are the key properties of N-hexylhexan-1-amine;hydrochloride?
N-hexylhexan-1-amine;hydrochloride has a molecular weight of 221.82 g/mol, XLogP of 4.16, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexylhexan-1-amine;hydrochloride is sourced from PubChem (CID 519999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).