1-(aminomethyl)cyclopentane-1-carbonyl chloride

C7H12ClNO — CID 45081354

IUPAC1-(aminomethyl)cyclopentane-1-carbonyl chloride
SMILESNCC1(C(=O)Cl)CCCC1
InChIInChI=1S/C7H12ClNO/c8-6(10)7(5-9)3-1-2-4-7/h1-5,9H2
InChIKeyHSYGYKNYIWXGIF-UHFFFAOYSA-N
MW161.63 g/mol
LogP1.27
Rot. Bonds2

About 1-(aminomethyl)cyclopentane-1-carbonyl chloride

1-(aminomethyl)cyclopentane-1-carbonyl chloride (PubChem CID 45081354) has the molecular formula C7H12ClNO and a molecular weight of 161.63 g/mol. Its IUPAC name is 1-(aminomethyl)cyclopentane-1-carbonyl chloride.

Molecular Properties

Compound Name1-(aminomethyl)cyclopentane-1-carbonyl chloride
PubChem CID45081354
Molecular FormulaC7H12ClNO
Molecular Weight161.63 g/mol
Exact Mass161.06
IUPAC Name1-(aminomethyl)cyclopentane-1-carbonyl chloride
SMILESNCC1(C(=O)Cl)CCCC1
InChIInChI=1S/C7H12ClNO/c8-6(10)7(5-9)3-1-2-4-7/h1-5,9H2
InChIKeyHSYGYKNYIWXGIF-UHFFFAOYSA-N
XLogP1.27
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.63
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(aminomethyl)cyclohexane-1-carbonyl chloride
CID 142629542
1-[1-(aminomethyl)cyclopentyl]ethanone;hydrochloride
CID 86775853
1-(aminomethyl)cyclobutane-1-carboxylic acid
CID 23405971
1-[1-(aminomethyl)cyclopentyl]propan-1-one
CID 116600810
1-(aminomethyl)-N,N-dimethylcyclopentane-1-carboxamide
CID 54593229
1-(aminomethyl)-N-carbamoylcycloheptane-1-carboxamide
CID 115444211
1-[1-(aminomethyl)cyclopentyl]-2-cyclopropylethanone
CID 116601042
1-[1-(aminomethyl)cyclobutyl]propan-1-one
CID 116600219
2-methylcyclohexane-1,1-dicarbonyl chloride
CID 87557674
[1-(aminomethyl)cyclopentyl]-(azepan-1-yl)methanone;hydrochloride
CID 119669538
3-(aminomethyl)piperidine-3-carboxylic acid
CID 130939829
1-(aminomethyl)-N,N-bis(2-amino-2-oxoethyl)cyclopentane-1-carboxamide
CID 62923756

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)cyclopentane-1-carbonyl chloride?
The IUPAC name of 1-(aminomethyl)cyclopentane-1-carbonyl chloride (CID 45081354) is 1-(aminomethyl)cyclopentane-1-carbonyl chloride.
What is the SMILES notation for 1-(aminomethyl)cyclopentane-1-carbonyl chloride?
The canonical SMILES for 1-(aminomethyl)cyclopentane-1-carbonyl chloride is NCC1(C(=O)Cl)CCCC1.
What is the InChIKey of 1-(aminomethyl)cyclopentane-1-carbonyl chloride?
The InChIKey is HSYGYKNYIWXGIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12ClNO/c8-6(10)7(5-9)3-1-2-4-7/h1-5,9H2.
What are the key properties of 1-(aminomethyl)cyclopentane-1-carbonyl chloride?
1-(aminomethyl)cyclopentane-1-carbonyl chloride has a molecular weight of 161.63 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)cyclopentane-1-carbonyl chloride is sourced from PubChem (CID 45081354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).