N-(chloromethyl)-N-methylcyclopentanamine

C7H14ClN — CID 115262941

IUPACN-(chloromethyl)-N-methylcyclopentanamine
SMILESCN(CCl)C1CCCC1
InChIInChI=1S/C7H14ClN/c1-9(6-8)7-4-2-3-5-7/h7H,2-6H2,1H3
InChIKeyFLVMVAXQFXFYIX-UHFFFAOYSA-N
MW147.65 g/mol
LogP2.06
Rot. Bonds2

About N-(chloromethyl)-N-methylcyclopentanamine

N-(chloromethyl)-N-methylcyclopentanamine (PubChem CID 115262941) has the molecular formula C7H14ClN and a molecular weight of 147.65 g/mol. Its IUPAC name is N-(chloromethyl)-N-methylcyclopentanamine.

Molecular Properties

Compound NameN-(chloromethyl)-N-methylcyclopentanamine
PubChem CID115262941
Molecular FormulaC7H14ClN
Molecular Weight147.65 g/mol
Exact Mass147.08
IUPAC NameN-(chloromethyl)-N-methylcyclopentanamine
SMILESCN(CCl)C1CCCC1
InChIInChI=1S/C7H14ClN/c1-9(6-8)7-4-2-3-5-7/h7H,2-6H2,1H3
InChIKeyFLVMVAXQFXFYIX-UHFFFAOYSA-N
XLogP2.06
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.65
LogP ≤ 52.06
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-(6-chlorohexyl)-N-methylcycloheptanamine
CID 62228773
2-[cycloheptyl(methyl)amino]acetic acid
CID 43409736
ethane;N-ethyl-N-methylcyclohexanamine
CID 143070425
carbanide;N-ethyl-N-methylcyclobutanamine;tungsten(2+)
CID 170793114
N'-cyclohexyl-N-[2-[cyclohexyl(methyl)amino]ethyl]-N,N'-dimethylethane-1,2-diamine
CID 178121519
N-methyl-N-(2-methylpropyl)cyclopentanamine
CID 89147388
N-[2-[2-[cyclopentyl(methyl)amino]ethoxy]ethyl]-N-methylcyclopentanamine
CID 178121516
N-(cyclohexylmethyl)-N-methylcyclohexanamine;ethane
CID 143467626
3-[cyclododecyl(methyl)amino]propanoic acid
CID 65063573
1,3-bis[cyclooctyl(methyl)amino]propan-2-ol
CID 130316337
2-[cyclohexyl(methyl)amino]ethanol;hydrochloride
CID 69010720
N-[(1-fluorocyclopropyl)methyl]-N-methylcyclopentanamine
CID 130693587

Frequently Asked Questions

What is the IUPAC name of N-(chloromethyl)-N-methylcyclopentanamine?
The IUPAC name of N-(chloromethyl)-N-methylcyclopentanamine (CID 115262941) is N-(chloromethyl)-N-methylcyclopentanamine.
What is the SMILES notation for N-(chloromethyl)-N-methylcyclopentanamine?
The canonical SMILES for N-(chloromethyl)-N-methylcyclopentanamine is CN(CCl)C1CCCC1.
What is the InChIKey of N-(chloromethyl)-N-methylcyclopentanamine?
The InChIKey is FLVMVAXQFXFYIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14ClN/c1-9(6-8)7-4-2-3-5-7/h7H,2-6H2,1H3.
What are the key properties of N-(chloromethyl)-N-methylcyclopentanamine?
N-(chloromethyl)-N-methylcyclopentanamine has a molecular weight of 147.65 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(chloromethyl)-N-methylcyclopentanamine is sourced from PubChem (CID 115262941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).