1-(chloromethyl)-N-(thiophen-3-ylmethyl)cyclopentan-1-amine

C11H16ClNS — CID 65025594

IUPAC1-(chloromethyl)-N-(thiophen-3-ylmethyl)cyclopentan-1-amine
SMILESClCC1(NCc2ccsc2)CCCC1
InChIInChI=1S/C11H16ClNS/c12-9-11(4-1-2-5-11)13-7-10-3-6-14-8-10/h3,6,8,13H,1-2,4-5,7,9H2
InChIKeyBFVSMJORDZGMTF-UHFFFAOYSA-N
MW229.78 g/mol
LogP3.39
Rot. Bonds4

About 1-(chloromethyl)-N-(thiophen-3-ylmethyl)cyclopentan-1-amine

1-(chloromethyl)-N-(thiophen-3-ylmethyl)cyclopentan-1-amine (PubChem CID 65025594) has the molecular formula C11H16ClNS and a molecular weight of 229.78 g/mol. Its IUPAC name is 1-(chloromethyl)-N-(thiophen-3-ylmethyl)cyclopentan-1-amine.

Molecular Properties

Compound Name1-(chloromethyl)-N-(thiophen-3-ylmethyl)cyclopentan-1-amine
PubChem CID65025594
Molecular FormulaC11H16ClNS
Molecular Weight229.78 g/mol
Exact Mass229.07
IUPAC Name1-(chloromethyl)-N-(thiophen-3-ylmethyl)cyclopentan-1-amine
SMILESClCC1(NCc2ccsc2)CCCC1
InChIInChI=1S/C11H16ClNS/c12-9-11(4-1-2-5-11)13-7-10-3-6-14-8-10/h3,6,8,13H,1-2,4-5,7,9H2
InChIKeyBFVSMJORDZGMTF-UHFFFAOYSA-N
XLogP3.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.78
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(chloromethyl)cyclopentyl]thiophene-3-carboxamide
CID 114300617
1-(chloromethyl)-N-[(2,6-dichlorophenyl)methyl]cyclopentan-1-amine
CID 65025996
1-[(thiophen-3-ylmethylamino)methyl]cyclopentan-1-ol
CID 63932881
2-[1-(thiophen-3-ylmethylcarbamoylamino)cyclopentyl]acetic acid
CID 64700143
N-[(5-bromothiophen-2-yl)methyl]-1-(chloromethyl)cyclohexan-1-amine
CID 65024610
1-(chloromethyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexan-1-amine
CID 65025042
1-(aminomethyl)-N-(thiophen-3-ylmethyl)cyclopentane-1-carboxamide
CID 81489545
1-(chloromethyl)-N-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-amine
CID 65026217
N-[(4-chloro-3-fluorophenyl)methyl]-1-(chloromethyl)cyclobutan-1-amine
CID 107887602
N-[(1-methylcyclobutyl)methyl]-1-thiophen-3-ylmethanamine;hydrochloride
CID 115680477
1-[(thiophen-3-ylmethylamino)methyl]cyclopropan-1-amine
CID 65460029
1-(chloromethyl)-N-[(2,5-dimethylphenyl)methyl]cyclopentan-1-amine
CID 65025938

Frequently Asked Questions

What is the IUPAC name of 1-(chloromethyl)-N-(thiophen-3-ylmethyl)cyclopentan-1-amine?
The IUPAC name of 1-(chloromethyl)-N-(thiophen-3-ylmethyl)cyclopentan-1-amine (CID 65025594) is 1-(chloromethyl)-N-(thiophen-3-ylmethyl)cyclopentan-1-amine.
What is the SMILES notation for 1-(chloromethyl)-N-(thiophen-3-ylmethyl)cyclopentan-1-amine?
The canonical SMILES for 1-(chloromethyl)-N-(thiophen-3-ylmethyl)cyclopentan-1-amine is ClCC1(NCc2ccsc2)CCCC1.
What is the InChIKey of 1-(chloromethyl)-N-(thiophen-3-ylmethyl)cyclopentan-1-amine?
The InChIKey is BFVSMJORDZGMTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNS/c12-9-11(4-1-2-5-11)13-7-10-3-6-14-8-10/h3,6,8,13H,1-2,4-5,7,9H2.
What are the key properties of 1-(chloromethyl)-N-(thiophen-3-ylmethyl)cyclopentan-1-amine?
1-(chloromethyl)-N-(thiophen-3-ylmethyl)cyclopentan-1-amine has a molecular weight of 229.78 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)-N-(thiophen-3-ylmethyl)cyclopentan-1-amine is sourced from PubChem (CID 65025594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).