N-[(2-chlorocyclopentyl)methyl]-2-ethylbutan-1-amine

C12H24ClN — CID 82924681

IUPACN-[(2-chlorocyclopentyl)methyl]-2-ethylbutan-1-amine
SMILESCCC(CC)CNCC1CCCC1Cl
InChIInChI=1S/C12H24ClN/c1-3-10(4-2)8-14-9-11-6-5-7-12(11)13/h10-12,14H,3-9H2,1-2H3
InChIKeyLXMILAPQIFMMBS-UHFFFAOYSA-N
MW217.78 g/mol
LogP3.42
Rot. Bonds6

About N-[(2-chlorocyclopentyl)methyl]-2-ethylbutan-1-amine

N-[(2-chlorocyclopentyl)methyl]-2-ethylbutan-1-amine (PubChem CID 82924681) has the molecular formula C12H24ClN and a molecular weight of 217.78 g/mol. Its IUPAC name is N-[(2-chlorocyclopentyl)methyl]-2-ethylbutan-1-amine.

Molecular Properties

Compound NameN-[(2-chlorocyclopentyl)methyl]-2-ethylbutan-1-amine
PubChem CID82924681
Molecular FormulaC12H24ClN
Molecular Weight217.78 g/mol
Exact Mass217.16
IUPAC NameN-[(2-chlorocyclopentyl)methyl]-2-ethylbutan-1-amine
SMILESCCC(CC)CNCC1CCCC1Cl
InChIInChI=1S/C12H24ClN/c1-3-10(4-2)8-14-9-11-6-5-7-12(11)13/h10-12,14H,3-9H2,1-2H3
InChIKeyLXMILAPQIFMMBS-UHFFFAOYSA-N
XLogP3.42
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 ≤ 53.42
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-[(2-chlorocyclohexyl)methyl]-2-ethylbutan-1-amine
CID 82925040
N-[[2-(chloromethyl)cyclopentyl]methyl]-2-ethylbutan-1-amine
CID 82924798
N-(cyclopentylmethyl)-2-ethylbutan-1-amine
CID 43317342
N-[[2-(aminomethyl)cyclopentyl]methyl]-2-ethylhexan-1-amine
CID 114004229
N-[(2-chlorocyclopentyl)methyl]-N',N'-dimethylpropane-1,3-diamine
CID 114526657
N-[(2-chlorocyclohexyl)methyl]-2-(2-methylpropoxy)ethanamine
CID 106457684
N-[(2-chlorocyclopentyl)methyl]-3-(2-methoxyethoxy)propan-1-amine
CID 103413070
N-[[(2R)-1,1-dioxothiolan-2-yl]methyl]-2-ethylbutan-1-amine
CID 97053070
N-[(2-chlorocyclohexyl)methyl]-2-[(2-methylpropan-2-yl)oxy]ethanamine
CID 112591784
2-(chloromethyl)-N-(2-ethylbutyl)cyclohexan-1-amine
CID 106365168
N-(2-cyclopentylethyl)-2-ethylbutan-1-amine
CID 60732890
N-[(4-chlorocyclohexyl)methyl]-2-ethylhexan-1-amine
CID 106123390

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorocyclopentyl)methyl]-2-ethylbutan-1-amine?
The IUPAC name of N-[(2-chlorocyclopentyl)methyl]-2-ethylbutan-1-amine (CID 82924681) is N-[(2-chlorocyclopentyl)methyl]-2-ethylbutan-1-amine.
What is the SMILES notation for N-[(2-chlorocyclopentyl)methyl]-2-ethylbutan-1-amine?
The canonical SMILES for N-[(2-chlorocyclopentyl)methyl]-2-ethylbutan-1-amine is CCC(CC)CNCC1CCCC1Cl.
What is the InChIKey of N-[(2-chlorocyclopentyl)methyl]-2-ethylbutan-1-amine?
The InChIKey is LXMILAPQIFMMBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24ClN/c1-3-10(4-2)8-14-9-11-6-5-7-12(11)13/h10-12,14H,3-9H2,1-2H3.
What are the key properties of N-[(2-chlorocyclopentyl)methyl]-2-ethylbutan-1-amine?
N-[(2-chlorocyclopentyl)methyl]-2-ethylbutan-1-amine has a molecular weight of 217.78 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorocyclopentyl)methyl]-2-ethylbutan-1-amine is sourced from PubChem (CID 82924681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).