1-(chloromethyl)-N-(3-imidazol-1-ylpropyl)cyclopentan-1-amine

C12H20ClN3 — CID 65025711

IUPAC1-(chloromethyl)-N-(3-imidazol-1-ylpropyl)cyclopentan-1-amine
SMILESClCC1(NCCCn2ccnc2)CCCC1
InChIInChI=1S/C12H20ClN3/c13-10-12(4-1-2-5-12)15-6-3-8-16-9-7-14-11-16/h7,9,11,15H,1-6,8,10H2
InChIKeySPPGMEUBLKJTJX-UHFFFAOYSA-N
MW241.77 g/mol
LogP2.41
Rot. Bonds6

About 1-(chloromethyl)-N-(3-imidazol-1-ylpropyl)cyclopentan-1-amine

1-(chloromethyl)-N-(3-imidazol-1-ylpropyl)cyclopentan-1-amine (PubChem CID 65025711) has the molecular formula C12H20ClN3 and a molecular weight of 241.77 g/mol. Its IUPAC name is 1-(chloromethyl)-N-(3-imidazol-1-ylpropyl)cyclopentan-1-amine.

Molecular Properties

Compound Name1-(chloromethyl)-N-(3-imidazol-1-ylpropyl)cyclopentan-1-amine
PubChem CID65025711
Molecular FormulaC12H20ClN3
Molecular Weight241.77 g/mol
Exact Mass241.13
IUPAC Name1-(chloromethyl)-N-(3-imidazol-1-ylpropyl)cyclopentan-1-amine
SMILESClCC1(NCCCn2ccnc2)CCCC1
InChIInChI=1S/C12H20ClN3/c13-10-12(4-1-2-5-12)15-6-3-8-16-9-7-14-11-16/h7,9,11,15H,1-6,8,10H2
InChIKeySPPGMEUBLKJTJX-UHFFFAOYSA-N
XLogP2.41
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.77
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)cyclopropan-1-amine;dihydrochloride
CID 19429364
[1-[(3-imidazol-1-ylpropylamino)methyl]cyclohexyl]methanol
CID 81413326
N-ethenyl-3-imidazol-1-ylpropan-1-amine
CID 143541256
1-(3-chloropropyl)imidazole;hydrochloride
CID 75539477
2-chloro-N-(4-imidazol-1-ylbutyl)acetamide;hydrochloride
CID 146083026
[1-[(4-imidazol-1-ylbutylamino)methyl]cyclohexyl]methanol
CID 81418834
N-(1-cyclobutylethyl)-3-imidazol-1-ylpropan-1-amine
CID 115704905
1-(14-imidazol-1-yltetradecyl)imidazole;hydrochloride
CID 57391442
3-imidazol-1-yl-N-[(2-methylthiolan-2-yl)methyl]propan-1-amine
CID 80721869
N-(1-cyclopropylethyl)-3-imidazol-1-ylpropan-1-amine
CID 43126800
N-[(1R)-1-cyclopropylethyl]-3-imidazol-1-ylpropan-1-amine
CID 28993992
3-cyclopentyl-N-(3-imidazol-1-ylpropyl)propan-1-amine
CID 114136924

Frequently Asked Questions

What is the IUPAC name of 1-(chloromethyl)-N-(3-imidazol-1-ylpropyl)cyclopentan-1-amine?
The IUPAC name of 1-(chloromethyl)-N-(3-imidazol-1-ylpropyl)cyclopentan-1-amine (CID 65025711) is 1-(chloromethyl)-N-(3-imidazol-1-ylpropyl)cyclopentan-1-amine.
What is the SMILES notation for 1-(chloromethyl)-N-(3-imidazol-1-ylpropyl)cyclopentan-1-amine?
The canonical SMILES for 1-(chloromethyl)-N-(3-imidazol-1-ylpropyl)cyclopentan-1-amine is ClCC1(NCCCn2ccnc2)CCCC1.
What is the InChIKey of 1-(chloromethyl)-N-(3-imidazol-1-ylpropyl)cyclopentan-1-amine?
The InChIKey is SPPGMEUBLKJTJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN3/c13-10-12(4-1-2-5-12)15-6-3-8-16-9-7-14-11-16/h7,9,11,15H,1-6,8,10H2.
What are the key properties of 1-(chloromethyl)-N-(3-imidazol-1-ylpropyl)cyclopentan-1-amine?
1-(chloromethyl)-N-(3-imidazol-1-ylpropyl)cyclopentan-1-amine has a molecular weight of 241.77 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)-N-(3-imidazol-1-ylpropyl)cyclopentan-1-amine is sourced from PubChem (CID 65025711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).