2-(2-chloroethyl)-N-(cyclopropylmethyl)pentan-1-amine

C11H22ClN — CID 106117073

IUPAC2-(2-chloroethyl)-N-(cyclopropylmethyl)pentan-1-amine
SMILESCCCC(CCCl)CNCC1CC1
InChIInChI=1S/C11H22ClN/c1-2-3-10(6-7-12)8-13-9-11-4-5-11/h10-11,13H,2-9H2,1H3
InChIKeyUIAFXFJGYNIDPH-UHFFFAOYSA-N
MW203.76 g/mol
LogP3.03
Rot. Bonds8

About 2-(2-chloroethyl)-N-(cyclopropylmethyl)pentan-1-amine

2-(2-chloroethyl)-N-(cyclopropylmethyl)pentan-1-amine (PubChem CID 106117073) has the molecular formula C11H22ClN and a molecular weight of 203.76 g/mol. Its IUPAC name is 2-(2-chloroethyl)-N-(cyclopropylmethyl)pentan-1-amine.

Molecular Properties

Compound Name2-(2-chloroethyl)-N-(cyclopropylmethyl)pentan-1-amine
PubChem CID106117073
Molecular FormulaC11H22ClN
Molecular Weight203.76 g/mol
Exact Mass203.14
IUPAC Name2-(2-chloroethyl)-N-(cyclopropylmethyl)pentan-1-amine
SMILESCCCC(CCCl)CNCC1CC1
InChIInChI=1S/C11H22ClN/c1-2-3-10(6-7-12)8-13-9-11-4-5-11/h10-11,13H,2-9H2,1H3
InChIKeyUIAFXFJGYNIDPH-UHFFFAOYSA-N
XLogP3.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
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': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(2-chloroethyl)-N-(2-methylpentyl)pentan-1-amine
CID 106117203
2-(2-chloroethyl)-N-(2,2-difluoroethyl)pentan-1-amine
CID 106117170
2-(2-chloroethyl)-N-(3-ethoxypropyl)pentan-1-amine
CID 106117140
N-[(4-chlorocyclohexyl)methyl]-2-ethylhexan-1-amine
CID 106123390
N-(cyclopentylmethyl)-2-ethylbutan-1-amine
CID 43317342
N-(cyclopropylmethyl)-4-ethoxy-2-ethylbutan-1-amine
CID 102547557
N-[2-(2-chloroethyl)pentyl]-4,4-difluorocyclohexane-1-carboxamide
CID 106117502
2-(2-chloroethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine
CID 106117233
1-(oxan-4-ylmethylamino)pentan-2-ol
CID 115685627
2-(2-chloroethyl)-N-[(2,5-difluorophenyl)methyl]pentan-1-amine
CID 114145599
N-[2-(2-chloroethyl)pentyl]oxane-4-sulfonamide
CID 114145876
N-[2-(2-chloroethyl)pentyl]-2,2-dimethylcyclohexane-1-carboxamide
CID 106117575

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-N-(cyclopropylmethyl)pentan-1-amine?
The IUPAC name of 2-(2-chloroethyl)-N-(cyclopropylmethyl)pentan-1-amine (CID 106117073) is 2-(2-chloroethyl)-N-(cyclopropylmethyl)pentan-1-amine.
What is the SMILES notation for 2-(2-chloroethyl)-N-(cyclopropylmethyl)pentan-1-amine?
The canonical SMILES for 2-(2-chloroethyl)-N-(cyclopropylmethyl)pentan-1-amine is CCCC(CCCl)CNCC1CC1.
What is the InChIKey of 2-(2-chloroethyl)-N-(cyclopropylmethyl)pentan-1-amine?
The InChIKey is UIAFXFJGYNIDPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22ClN/c1-2-3-10(6-7-12)8-13-9-11-4-5-11/h10-11,13H,2-9H2,1H3.
What are the key properties of 2-(2-chloroethyl)-N-(cyclopropylmethyl)pentan-1-amine?
2-(2-chloroethyl)-N-(cyclopropylmethyl)pentan-1-amine has a molecular weight of 203.76 g/mol, XLogP of 3.03, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-N-(cyclopropylmethyl)pentan-1-amine is sourced from PubChem (CID 106117073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).