N-butylcyclopentanamine;hydrochloride

C9H20ClN — CID 16641292

IUPACN-butylcyclopentanamine;hydrochloride
SMILESCCCCNC1CCCC1.Cl
InChIInChI=1S/C9H19N.ClH/c1-2-3-8-10-9-6-4-5-7-9;/h9-10H,2-8H2,1H3;1H
InChIKeyPQIAXFNFHZJYDW-UHFFFAOYSA-N
MW177.72 g/mol
LogP2.74
Rot. Bonds4

About N-butylcyclopentanamine;hydrochloride

N-butylcyclopentanamine;hydrochloride (PubChem CID 16641292) has the molecular formula C9H20ClN and a molecular weight of 177.72 g/mol. Its IUPAC name is N-butylcyclopentanamine;hydrochloride.

Molecular Properties

Compound NameN-butylcyclopentanamine;hydrochloride
PubChem CID16641292
Molecular FormulaC9H20ClN
Molecular Weight177.72 g/mol
Exact Mass177.13
IUPAC NameN-butylcyclopentanamine;hydrochloride
SMILESCCCCNC1CCCC1.Cl
InChIInChI=1S/C9H19N.ClH/c1-2-3-8-10-9-6-4-5-7-9;/h9-10H,2-8H2,1H3;1H
InChIKeyPQIAXFNFHZJYDW-UHFFFAOYSA-N
XLogP2.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.72
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-butylcyclopentanamine;hydrochloride?
The IUPAC name of N-butylcyclopentanamine;hydrochloride (CID 16641292) is N-butylcyclopentanamine;hydrochloride.
What is the SMILES notation for N-butylcyclopentanamine;hydrochloride?
The canonical SMILES for N-butylcyclopentanamine;hydrochloride is CCCCNC1CCCC1.Cl.
What is the InChIKey of N-butylcyclopentanamine;hydrochloride?
The InChIKey is PQIAXFNFHZJYDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N.ClH/c1-2-3-8-10-9-6-4-5-7-9;/h9-10H,2-8H2,1H3;1H.
What are the key properties of N-butylcyclopentanamine;hydrochloride?
N-butylcyclopentanamine;hydrochloride has a molecular weight of 177.72 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butylcyclopentanamine;hydrochloride is sourced from PubChem (CID 16641292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).