1-(chloromethyl)-N-cyclopentylcyclopentan-1-amine

C11H20ClN — CID 18316154

IUPAC1-(chloromethyl)-N-cyclopentylcyclopentan-1-amine
SMILESClCC1(NC2CCCC2)CCCC1
InChIInChI=1S/C11H20ClN/c12-9-11(7-3-4-8-11)13-10-5-1-2-6-10/h10,13H,1-9H2
InChIKeyABZVPDSUPBXFBC-UHFFFAOYSA-N
MW201.74 g/mol
LogP3.07
Rot. Bonds3

About 1-(chloromethyl)-N-cyclopentylcyclopentan-1-amine

1-(chloromethyl)-N-cyclopentylcyclopentan-1-amine (PubChem CID 18316154) has the molecular formula C11H20ClN and a molecular weight of 201.74 g/mol. Its IUPAC name is 1-(chloromethyl)-N-cyclopentylcyclopentan-1-amine.

Molecular Properties

Compound Name1-(chloromethyl)-N-cyclopentylcyclopentan-1-amine
PubChem CID18316154
Molecular FormulaC11H20ClN
Molecular Weight201.74 g/mol
Exact Mass201.13
IUPAC Name1-(chloromethyl)-N-cyclopentylcyclopentan-1-amine
SMILESClCC1(NC2CCCC2)CCCC1
InChIInChI=1S/C11H20ClN/c12-9-11(7-3-4-8-11)13-10-5-1-2-6-10/h10,13H,1-9H2
InChIKeyABZVPDSUPBXFBC-UHFFFAOYSA-N
XLogP3.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.74
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(chloromethyl)-N-(2-fluoroethyl)cyclopentan-1-amine
CID 80695805
1-(chloromethyl)-N-(3-fluoropropyl)cyclopentan-1-amine
CID 81113933
1-(chloromethyl)-N-(4,4,4-trifluorobutyl)cyclopentan-1-amine
CID 115518409
2-chloro-N-[(3,3-difluorocyclopentyl)methyl]cyclopentan-1-amine
CID 131064865
1-(Cyclohexylamino)-1-(chloromethyl)cyclopentane
CID 18316166
1-(Cyclobutylamino)-1-(chloromethyl)cyclopentane
CID 18316529
1-(chloromethyl)-1-(cyclohexylamino)cyclopentane HCl salt
CID 69992905
1-(chloromethyl)-1-(cyclopentylamino)cyclopentane HCl salt
CID 69995819
2-chloro-N-(2-chlorocyclopentyl)cyclopentan-1-amine
CID 118268232
N-tert-butyl-2-chlorocyclopentan-1-amine
CID 425245
1-chloro-N-(cyclopentylmethyl)-2-methylbutan-2-amine
CID 65024504
1-(chloromethyl)-N-(cyclopentylmethyl)cyclohexan-1-amine
CID 65025038

Frequently Asked Questions

What is the IUPAC name of 1-(chloromethyl)-N-cyclopentylcyclopentan-1-amine?
The IUPAC name of 1-(chloromethyl)-N-cyclopentylcyclopentan-1-amine (CID 18316154) is 1-(chloromethyl)-N-cyclopentylcyclopentan-1-amine.
What is the SMILES notation for 1-(chloromethyl)-N-cyclopentylcyclopentan-1-amine?
The canonical SMILES for 1-(chloromethyl)-N-cyclopentylcyclopentan-1-amine is ClCC1(NC2CCCC2)CCCC1.
What is the InChIKey of 1-(chloromethyl)-N-cyclopentylcyclopentan-1-amine?
The InChIKey is ABZVPDSUPBXFBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClN/c12-9-11(7-3-4-8-11)13-10-5-1-2-6-10/h10,13H,1-9H2.
What are the key properties of 1-(chloromethyl)-N-cyclopentylcyclopentan-1-amine?
1-(chloromethyl)-N-cyclopentylcyclopentan-1-amine has a molecular weight of 201.74 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)-N-cyclopentylcyclopentan-1-amine is sourced from PubChem (CID 18316154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).