2-chloro-N-(2-cyclopropylethyl)-3-ethylpentan-1-amine

C12H24ClN — CID 106286423

IUPAC2-chloro-N-(2-cyclopropylethyl)-3-ethylpentan-1-amine
SMILESCCC(CC)C(Cl)CNCCC1CC1
InChIInChI=1S/C12H24ClN/c1-3-11(4-2)12(13)9-14-8-7-10-5-6-10/h10-12,14H,3-9H2,1-2H3
InChIKeyJLIVWCATNPGQEB-UHFFFAOYSA-N
MW217.78 g/mol
LogP3.42
Rot. Bonds8

About 2-chloro-N-(2-cyclopropylethyl)-3-ethylpentan-1-amine

2-chloro-N-(2-cyclopropylethyl)-3-ethylpentan-1-amine (PubChem CID 106286423) has the molecular formula C12H24ClN and a molecular weight of 217.78 g/mol. Its IUPAC name is 2-chloro-N-(2-cyclopropylethyl)-3-ethylpentan-1-amine.

Molecular Properties

Compound Name2-chloro-N-(2-cyclopropylethyl)-3-ethylpentan-1-amine
PubChem CID106286423
Molecular FormulaC12H24ClN
Molecular Weight217.78 g/mol
Exact Mass217.16
IUPAC Name2-chloro-N-(2-cyclopropylethyl)-3-ethylpentan-1-amine
SMILESCCC(CC)C(Cl)CNCCC1CC1
InChIInChI=1S/C12H24ClN/c1-3-11(4-2)12(13)9-14-8-7-10-5-6-10/h10-12,14H,3-9H2,1-2H3
InChIKeyJLIVWCATNPGQEB-UHFFFAOYSA-N
XLogP3.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-(2-cyclopropylethyl)-4-methylpentan-1-amine
CID 107155904
N-(2-chloro-3-ethylpentyl)dodecan-1-amine
CID 106286331
N-(2-cyclopentylethyl)-2-ethylbutan-1-amine
CID 60732890
2-chloro-N-(2-ethoxyethyl)-3-ethylpentan-1-amine
CID 106286235
(2S)-1-[2-(4-methylcyclohexyl)ethylamino]propan-2-ol
CID 106932151
N-(2-chloro-3-ethylpentyl)-3-cyclohexylpropanamide
CID 114168705
methyl 3-(2-cyclopropylethylamino)-2-iodopropanoate
CID 103491987
1-N-(2-cyclohexylethyl)-4-methylpentane-1,2-diamine
CID 83962626
2-[[2-(1-methylpyrrolidin-3-yl)ethylamino]methyl]butan-1-ol
CID 115251067
2-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]propan-1-amine
CID 115876275
N-[2-(azetidin-3-yl)ethyl]-2-methylbutan-1-amine
CID 116679937
2-cyclopentyl-N-ethylethanamine;hydrochloride
CID 3028141

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-cyclopropylethyl)-3-ethylpentan-1-amine?
The IUPAC name of 2-chloro-N-(2-cyclopropylethyl)-3-ethylpentan-1-amine (CID 106286423) is 2-chloro-N-(2-cyclopropylethyl)-3-ethylpentan-1-amine.
What is the SMILES notation for 2-chloro-N-(2-cyclopropylethyl)-3-ethylpentan-1-amine?
The canonical SMILES for 2-chloro-N-(2-cyclopropylethyl)-3-ethylpentan-1-amine is CCC(CC)C(Cl)CNCCC1CC1.
What is the InChIKey of 2-chloro-N-(2-cyclopropylethyl)-3-ethylpentan-1-amine?
The InChIKey is JLIVWCATNPGQEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24ClN/c1-3-11(4-2)12(13)9-14-8-7-10-5-6-10/h10-12,14H,3-9H2,1-2H3.
What are the key properties of 2-chloro-N-(2-cyclopropylethyl)-3-ethylpentan-1-amine?
2-chloro-N-(2-cyclopropylethyl)-3-ethylpentan-1-amine has a molecular weight of 217.78 g/mol, XLogP of 3.42, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-cyclopropylethyl)-3-ethylpentan-1-amine is sourced from PubChem (CID 106286423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).