3-cyclopentyl-N-methylpropan-1-amine;hydrochloride

C9H20ClN — CID 75530738

IUPAC3-cyclopentyl-N-methylpropan-1-amine;hydrochloride
SMILESCNCCCC1CCCC1.Cl
InChIInChI=1S/C9H19N.ClH/c1-10-8-4-7-9-5-2-3-6-9;/h9-10H,2-8H2,1H3;1H
InChIKeyOQACKUPEJJARCE-UHFFFAOYSA-N
MW177.72 g/mol
LogP2.60
Rot. Bonds4

About 3-cyclopentyl-N-methylpropan-1-amine;hydrochloride

3-cyclopentyl-N-methylpropan-1-amine;hydrochloride (PubChem CID 75530738) has the molecular formula C9H20ClN and a molecular weight of 177.72 g/mol. Its IUPAC name is 3-cyclopentyl-N-methylpropan-1-amine;hydrochloride.

Molecular Properties

Compound Name3-cyclopentyl-N-methylpropan-1-amine;hydrochloride
PubChem CID75530738
Molecular FormulaC9H20ClN
Molecular Weight177.72 g/mol
Exact Mass177.13
IUPAC Name3-cyclopentyl-N-methylpropan-1-amine;hydrochloride
SMILESCNCCCC1CCCC1.Cl
InChIInChI=1S/C9H19N.ClH/c1-10-8-4-7-9-5-2-3-6-9;/h9-10H,2-8H2,1H3;1H
InChIKeyOQACKUPEJJARCE-UHFFFAOYSA-N
XLogP2.60
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 ≤ 52.60
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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Related Compounds

3-cyclohexyl-N-methylpropan-1-amine
CID 3028091
2-cyclohexyl-N-methylethanamine;ethane
CID 171834156
3-[3-fluoro-3-(trifluoromethyl)cyclohexyl]-N-methylpropan-1-amine
CID 84737013
3-cyclotetradecyl-N-propan-2-ylpropan-1-amine
CID 91804535
butylcyclohexane;N-methylmethanamine
CID 174941558
N-methyl-3-(3-methylcyclobutyl)propan-1-amine
CID 119055096
N-methyl-5-(4-methylcyclohexyl)pentan-1-amine
CID 91473840
4-[3-(methylamino)propyl]piperidine-1-carbaldehyde
CID 166684107
1-[4-[3-(methylamino)propyl]piperidin-1-yl]ethanone
CID 166684108
N-methyl-5-[(3S)-3-propylcyclohexyl]pentan-1-amine
CID 156519662
1-[4-(3-cyclohexylpropanoyl)piperazin-1-yl]-4-(methylamino)butan-1-one;hydrochloride
CID 119743484
3-cyclohexadecylpropylcyclohexadecane
CID 57270632

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-methylpropan-1-amine;hydrochloride?
The IUPAC name of 3-cyclopentyl-N-methylpropan-1-amine;hydrochloride (CID 75530738) is 3-cyclopentyl-N-methylpropan-1-amine;hydrochloride.
What is the SMILES notation for 3-cyclopentyl-N-methylpropan-1-amine;hydrochloride?
The canonical SMILES for 3-cyclopentyl-N-methylpropan-1-amine;hydrochloride is CNCCCC1CCCC1.Cl.
What is the InChIKey of 3-cyclopentyl-N-methylpropan-1-amine;hydrochloride?
The InChIKey is OQACKUPEJJARCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N.ClH/c1-10-8-4-7-9-5-2-3-6-9;/h9-10H,2-8H2,1H3;1H.
What are the key properties of 3-cyclopentyl-N-methylpropan-1-amine;hydrochloride?
3-cyclopentyl-N-methylpropan-1-amine;hydrochloride has a molecular weight of 177.72 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-methylpropan-1-amine;hydrochloride is sourced from PubChem (CID 75530738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).