N-pentylpentan-1-amine;hydrochloride

C10H24ClN — CID 520044

IUPACN-pentylpentan-1-amine;hydrochloride
SMILESCCCCCNCCCCC.Cl
InChIInChI=1S/C10H23N.ClH/c1-3-5-7-9-11-10-8-6-4-2;/h11H,3-10H2,1-2H3;1H
InChIKeyXVEUERTYUNCPOM-UHFFFAOYSA-N
MW193.76 g/mol
LogP3.38
Rot. Bonds8

About N-pentylpentan-1-amine;hydrochloride

N-pentylpentan-1-amine;hydrochloride (PubChem CID 520044) has the molecular formula C10H24ClN and a molecular weight of 193.76 g/mol. Its IUPAC name is N-pentylpentan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-pentylpentan-1-amine;hydrochloride
PubChem CID520044
Molecular FormulaC10H24ClN
Molecular Weight193.76 g/mol
Exact Mass193.16
IUPAC NameN-pentylpentan-1-amine;hydrochloride
SMILESCCCCCNCCCCC.Cl
InChIInChI=1S/C10H23N.ClH/c1-3-5-7-9-11-10-8-6-4-2;/h11H,3-10H2,1-2H3;1H
InChIKeyXVEUERTYUNCPOM-UHFFFAOYSA-N
XLogP3.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.76
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-pentylpentan-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-hexylhexan-1-amine;hydrochloride
CID 519999
N-octylnonan-1-amine;hydrochloride
CID 90480847
N-hexyltridecan-1-amine
CID 87659278
octane;N-octylnonan-1-amine
CID 145152206
N-pentylpentan-1-amine;sulfane
CID 173223078
N-undecyltetradecan-1-amine
CID 166059375
N,N'-diheptyldecane-1,10-diamine
CID 3028161
N,N'-diheptylhexane-1,6-diamine
CID 3028571
N-butyltetradecan-1-amine
CID 3548872
methane;N-octyloctan-1-amine
CID 87294693
N,N'-di(nonyl)ethane-1,2-diamine
CID 151189669

Frequently Asked Questions

What is the IUPAC name of N-pentylpentan-1-amine;hydrochloride?
The IUPAC name of N-pentylpentan-1-amine;hydrochloride (CID 520044) is N-pentylpentan-1-amine;hydrochloride.
What is the SMILES notation for N-pentylpentan-1-amine;hydrochloride?
The canonical SMILES for N-pentylpentan-1-amine;hydrochloride is CCCCCNCCCCC.Cl.
What is the InChIKey of N-pentylpentan-1-amine;hydrochloride?
The InChIKey is XVEUERTYUNCPOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N.ClH/c1-3-5-7-9-11-10-8-6-4-2;/h11H,3-10H2,1-2H3;1H.
What are the key properties of N-pentylpentan-1-amine;hydrochloride?
N-pentylpentan-1-amine;hydrochloride has a molecular weight of 193.76 g/mol, XLogP of 3.38, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentylpentan-1-amine;hydrochloride is sourced from PubChem (CID 520044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).