N-[2-(chloromethyl)-2-ethylbutyl]cyclopentanamine

C12H24ClN — CID 106252379

IUPACN-[2-(chloromethyl)-2-ethylbutyl]cyclopentanamine
SMILESCCC(CC)(CCl)CNC1CCCC1
InChIInChI=1S/C12H24ClN/c1-3-12(4-2,9-13)10-14-11-7-5-6-8-11/h11,14H,3-10H2,1-2H3
InChIKeyWIGVBBAGXJNWCO-UHFFFAOYSA-N
MW217.78 g/mol
LogP3.56
Rot. Bonds6

About N-[2-(chloromethyl)-2-ethylbutyl]cyclopentanamine

N-[2-(chloromethyl)-2-ethylbutyl]cyclopentanamine (PubChem CID 106252379) has the molecular formula C12H24ClN and a molecular weight of 217.78 g/mol. Its IUPAC name is N-[2-(chloromethyl)-2-ethylbutyl]cyclopentanamine.

Molecular Properties

Compound NameN-[2-(chloromethyl)-2-ethylbutyl]cyclopentanamine
PubChem CID106252379
Molecular FormulaC12H24ClN
Molecular Weight217.78 g/mol
Exact Mass217.16
IUPAC NameN-[2-(chloromethyl)-2-ethylbutyl]cyclopentanamine
SMILESCCC(CC)(CCl)CNC1CCCC1
InChIInChI=1S/C12H24ClN/c1-3-12(4-2,9-13)10-14-11-7-5-6-8-11/h11,14H,3-10H2,1-2H3
InChIKeyWIGVBBAGXJNWCO-UHFFFAOYSA-N
XLogP3.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.78
LogP ≤ 53.56
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

N'-cyclopropyl-2,2-diethylpropane-1,3-diamine
CID 115432791
3-[(cyclododecylamino)methyl]pentan-3-ol
CID 65105202
3-[(cyclooctylamino)methyl]pentan-3-ol
CID 65108396
N-cyclohexyl-N'-cyclopropyl-2,2-diethyl-N-methylpropane-1,3-diamine
CID 62263046
N-(2,2-dimethylpropyl)cyclododecanamine
CID 63452276
2-ethyl-2-[[(1-methylazepan-4-yl)amino]methyl]butan-1-ol
CID 103904654
2-[[(4-tert-butylcycloheptyl)amino]methyl]-2-ethylbutan-1-ol
CID 106252194
N-(5-chloro-2,2-dimethylpentyl)cyclohexanamine
CID 106141048
2-ethyl-2-[[(1-ethylazepan-4-yl)amino]methyl]butan-1-ol
CID 114164233
N-(1-chloro-2-methylbutan-2-yl)cyclohexanamine
CID 82937345
N-(2-iodo-2-methylpropyl)cyclohexanamine
CID 121246583
N-ethylcyclodecanamine
CID 148546213

Frequently Asked Questions

What is the IUPAC name of N-[2-(chloromethyl)-2-ethylbutyl]cyclopentanamine?
The IUPAC name of N-[2-(chloromethyl)-2-ethylbutyl]cyclopentanamine (CID 106252379) is N-[2-(chloromethyl)-2-ethylbutyl]cyclopentanamine.
What is the SMILES notation for N-[2-(chloromethyl)-2-ethylbutyl]cyclopentanamine?
The canonical SMILES for N-[2-(chloromethyl)-2-ethylbutyl]cyclopentanamine is CCC(CC)(CCl)CNC1CCCC1.
What is the InChIKey of N-[2-(chloromethyl)-2-ethylbutyl]cyclopentanamine?
The InChIKey is WIGVBBAGXJNWCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24ClN/c1-3-12(4-2,9-13)10-14-11-7-5-6-8-11/h11,14H,3-10H2,1-2H3.
What are the key properties of N-[2-(chloromethyl)-2-ethylbutyl]cyclopentanamine?
N-[2-(chloromethyl)-2-ethylbutyl]cyclopentanamine has a molecular weight of 217.78 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(chloromethyl)-2-ethylbutyl]cyclopentanamine is sourced from PubChem (CID 106252379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).