N-(chloromethyl)-1-cyclopentyl-N-methylmethanamine

C8H16ClN — CID 115263271

IUPACN-(chloromethyl)-1-cyclopentyl-N-methylmethanamine
SMILESCN(CCl)CC1CCCC1
InChIInChI=1S/C8H16ClN/c1-10(7-9)6-8-4-2-3-5-8/h8H,2-7H2,1H3
InChIKeyLKLAPYVAVFZZAN-UHFFFAOYSA-N
MW161.68 g/mol
LogP2.30
Rot. Bonds3

About N-(chloromethyl)-1-cyclopentyl-N-methylmethanamine

N-(chloromethyl)-1-cyclopentyl-N-methylmethanamine (PubChem CID 115263271) has the molecular formula C8H16ClN and a molecular weight of 161.68 g/mol. Its IUPAC name is N-(chloromethyl)-1-cyclopentyl-N-methylmethanamine.

Molecular Properties

Compound NameN-(chloromethyl)-1-cyclopentyl-N-methylmethanamine
PubChem CID115263271
Molecular FormulaC8H16ClN
Molecular Weight161.68 g/mol
Exact Mass161.10
IUPAC NameN-(chloromethyl)-1-cyclopentyl-N-methylmethanamine
SMILESCN(CCl)CC1CCCC1
InChIInChI=1S/C8H16ClN/c1-10(7-9)6-8-4-2-3-5-8/h8H,2-7H2,1H3
InChIKeyLKLAPYVAVFZZAN-UHFFFAOYSA-N
XLogP2.30
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.68
LogP ≤ 52.30
H-Bond Donors ≤ 50
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-(cyclopentylmethyl)-N-methylpropan-1-amine
CID 67817061
1-chloro-3-[cyclohexylmethyl(methyl)amino]propan-2-ol
CID 112561400
N-(cyclopentylmethyl)-2,2-dimethoxy-N-methylethanamine
CID 66222142
N'-(cyclopentylmethyl)-N'-methylethane-1,2-diamine
CID 55151127
N-(chloromethyl)-2-cyclobutyl-N-methylethanamine
CID 115263599
1-cycloheptyl-N,N-dimethylmethanamine
CID 58845214
2-[cyclohexylmethyl(methyl)amino]acetonitrile
CID 60750592
1-cyclobutyl-N,N-dimethylmethanamine
CID 4285302
N-(cyclopentylmethyl)-N,2,2-trimethylbutan-1-amine
CID 138459636
N-(cyclohexylmethyl)-N-methylbutan-1-amine;ethane
CID 142936949
3-N-(cyclopentylmethyl)-3-N-methylpropane-1,2,3-triamine
CID 115119915
(E)-3-chloro-N-(cyclobutylmethyl)-N-methylprop-2-en-1-amine
CID 131248446

Frequently Asked Questions

What is the IUPAC name of N-(chloromethyl)-1-cyclopentyl-N-methylmethanamine?
The IUPAC name of N-(chloromethyl)-1-cyclopentyl-N-methylmethanamine (CID 115263271) is N-(chloromethyl)-1-cyclopentyl-N-methylmethanamine.
What is the SMILES notation for N-(chloromethyl)-1-cyclopentyl-N-methylmethanamine?
The canonical SMILES for N-(chloromethyl)-1-cyclopentyl-N-methylmethanamine is CN(CCl)CC1CCCC1.
What is the InChIKey of N-(chloromethyl)-1-cyclopentyl-N-methylmethanamine?
The InChIKey is LKLAPYVAVFZZAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16ClN/c1-10(7-9)6-8-4-2-3-5-8/h8H,2-7H2,1H3.
What are the key properties of N-(chloromethyl)-1-cyclopentyl-N-methylmethanamine?
N-(chloromethyl)-1-cyclopentyl-N-methylmethanamine has a molecular weight of 161.68 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(chloromethyl)-1-cyclopentyl-N-methylmethanamine is sourced from PubChem (CID 115263271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).