2-chloro-N-(2-cyclopropylethyl)-4-methylpentan-1-amine

C11H22ClN — CID 107155904

IUPAC2-chloro-N-(2-cyclopropylethyl)-4-methylpentan-1-amine
SMILESCC(C)CC(Cl)CNCCC1CC1
InChIInChI=1S/C11H22ClN/c1-9(2)7-11(12)8-13-6-5-10-3-4-10/h9-11,13H,3-8H2,1-2H3
InChIKeyWSORFFONWUJKFP-UHFFFAOYSA-N
MW203.76 g/mol
LogP3.03
Rot. Bonds7

About 2-chloro-N-(2-cyclopropylethyl)-4-methylpentan-1-amine

2-chloro-N-(2-cyclopropylethyl)-4-methylpentan-1-amine (PubChem CID 107155904) has the molecular formula C11H22ClN and a molecular weight of 203.76 g/mol. Its IUPAC name is 2-chloro-N-(2-cyclopropylethyl)-4-methylpentan-1-amine.

Molecular Properties

Compound Name2-chloro-N-(2-cyclopropylethyl)-4-methylpentan-1-amine
PubChem CID107155904
Molecular FormulaC11H22ClN
Molecular Weight203.76 g/mol
Exact Mass203.14
IUPAC Name2-chloro-N-(2-cyclopropylethyl)-4-methylpentan-1-amine
SMILESCC(C)CC(Cl)CNCCC1CC1
InChIInChI=1S/C11H22ClN/c1-9(2)7-11(12)8-13-6-5-10-3-4-10/h9-11,13H,3-8H2,1-2H3
InChIKeyWSORFFONWUJKFP-UHFFFAOYSA-N
XLogP3.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.76
LogP ≤ 53.03
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)-3-ethylpentan-1-amine
CID 106286423
1-N-(2-cyclohexylethyl)-4-methylpentane-1,2-diamine
CID 83962626
2,4-dimethyl-N-[2-(1-methylpiperidin-4-yl)ethyl]pentan-1-amine
CID 114200185
2-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]propan-1-amine
CID 115876275
(2S)-1-[2-(4-methylcyclohexyl)ethylamino]propan-2-ol
CID 106932151
2-chloro-4-methyl-N-(2-methylsulfonylethyl)pentan-1-amine
CID 107155996
2-chloro-N-[2-(2-methoxyethoxy)ethyl]-4-methylpentan-1-amine
CID 107155875
2,4-dimethyl-N-[2-(3-methylcyclohexyl)ethyl]pentan-1-amine
CID 114200146
N-(2-cyclopentylethyl)-2-ethylbutan-1-amine
CID 60732890
methyl 3-(2-cyclopropylethylamino)-2-iodopropanoate
CID 103491987
N-(2-cyclohexylethyl)-2-methylbutane-1,4-diamine
CID 115202800
3-(2-cyclohexylethylamino)-2-methylpropanamide
CID 60920739

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-cyclopropylethyl)-4-methylpentan-1-amine?
The IUPAC name of 2-chloro-N-(2-cyclopropylethyl)-4-methylpentan-1-amine (CID 107155904) is 2-chloro-N-(2-cyclopropylethyl)-4-methylpentan-1-amine.
What is the SMILES notation for 2-chloro-N-(2-cyclopropylethyl)-4-methylpentan-1-amine?
The canonical SMILES for 2-chloro-N-(2-cyclopropylethyl)-4-methylpentan-1-amine is CC(C)CC(Cl)CNCCC1CC1.
What is the InChIKey of 2-chloro-N-(2-cyclopropylethyl)-4-methylpentan-1-amine?
The InChIKey is WSORFFONWUJKFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22ClN/c1-9(2)7-11(12)8-13-6-5-10-3-4-10/h9-11,13H,3-8H2,1-2H3.
What are the key properties of 2-chloro-N-(2-cyclopropylethyl)-4-methylpentan-1-amine?
2-chloro-N-(2-cyclopropylethyl)-4-methylpentan-1-amine has a molecular weight of 203.76 g/mol, XLogP of 3.03, 7 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)-4-methylpentan-1-amine is sourced from PubChem (CID 107155904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).