N-(chloromethyl)-1-cyclopentylmethanamine

C7H14ClN — CID 115263105

IUPACN-(chloromethyl)-1-cyclopentylmethanamine
SMILESClCNCC1CCCC1
InChIInChI=1S/C7H14ClN/c8-6-9-5-7-3-1-2-4-7/h7,9H,1-6H2
InChIKeyNBQMGESSXOWPBL-UHFFFAOYSA-N
MW147.65 g/mol
LogP1.96
Rot. Bonds3

About N-(chloromethyl)-1-cyclopentylmethanamine

N-(chloromethyl)-1-cyclopentylmethanamine (PubChem CID 115263105) has the molecular formula C7H14ClN and a molecular weight of 147.65 g/mol. Its IUPAC name is N-(chloromethyl)-1-cyclopentylmethanamine.

Molecular Properties

Compound NameN-(chloromethyl)-1-cyclopentylmethanamine
PubChem CID115263105
Molecular FormulaC7H14ClN
Molecular Weight147.65 g/mol
Exact Mass147.08
IUPAC NameN-(chloromethyl)-1-cyclopentylmethanamine
SMILESClCNCC1CCCC1
InChIInChI=1S/C7H14ClN/c8-6-9-5-7-3-1-2-4-7/h7,9H,1-6H2
InChIKeyNBQMGESSXOWPBL-UHFFFAOYSA-N
XLogP1.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.65
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(chloromethyl)-1-piperidin-4-ylmethanamine
CID 134365297
1-cyclobutyl-N-(cyclobutylmethyl)methanamine
CID 54206114
6-chloro-N-(cyclohexylmethyl)hexan-1-amine
CID 107845744
(E)-4-chloro-N-(cyclohexylmethyl)but-2-en-1-amine
CID 81430081
N-(chloromethyl)-2-cyclopentylethanamine
CID 115263432
1-cyclobutyl-N-(cyclobutylmethyl)methanamine;hydrochloride
CID 134690905
(cyclononylmethylamino)methanol
CID 137465268
2-chloro-N-(cyclopentylmethyl)propan-1-amine
CID 65024059
4-[(cyclopentylmethylamino)methyl]cyclohexan-1-amine
CID 115213454
N'-(cyclopentylmethyl)-N-methylmethanediamine
CID 115226926
5-chloro-N-(cyclopentylmethyl)-2,2-dimethylpentan-1-amine
CID 106141095
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-1-cyclopentylmethanamine
CID 114757546

Frequently Asked Questions

What is the IUPAC name of N-(chloromethyl)-1-cyclopentylmethanamine?
The IUPAC name of N-(chloromethyl)-1-cyclopentylmethanamine (CID 115263105) is N-(chloromethyl)-1-cyclopentylmethanamine.
What is the SMILES notation for N-(chloromethyl)-1-cyclopentylmethanamine?
The canonical SMILES for N-(chloromethyl)-1-cyclopentylmethanamine is ClCNCC1CCCC1.
What is the InChIKey of N-(chloromethyl)-1-cyclopentylmethanamine?
The InChIKey is NBQMGESSXOWPBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14ClN/c8-6-9-5-7-3-1-2-4-7/h7,9H,1-6H2.
What are the key properties of N-(chloromethyl)-1-cyclopentylmethanamine?
N-(chloromethyl)-1-cyclopentylmethanamine has a molecular weight of 147.65 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(chloromethyl)-1-cyclopentylmethanamine is sourced from PubChem (CID 115263105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).