2-chloro-N-[(1S)-1-cyclopentylethyl]prop-2-en-1-amine

C10H18ClN — CID 81394329

IUPAC2-chloro-N-[(1S)-1-cyclopentylethyl]prop-2-en-1-amine
SMILESC=C(Cl)CN[C@@H](C)C1CCCC1
InChIInChI=1S/C10H18ClN/c1-8(11)7-12-9(2)10-5-3-4-6-10/h9-10,12H,1,3-7H2,2H3/t9-/m0/s1
InChIKeyUWCZVHZKCSWFLZ-VIFPVBQESA-N
MW187.71 g/mol
LogP2.91
Rot. Bonds4

About 2-chloro-N-[(1S)-1-cyclopentylethyl]prop-2-en-1-amine

2-chloro-N-[(1S)-1-cyclopentylethyl]prop-2-en-1-amine (PubChem CID 81394329) has the molecular formula C10H18ClN and a molecular weight of 187.71 g/mol. Its IUPAC name is 2-chloro-N-[(1S)-1-cyclopentylethyl]prop-2-en-1-amine.

Molecular Properties

Compound Name2-chloro-N-[(1S)-1-cyclopentylethyl]prop-2-en-1-amine
PubChem CID81394329
Molecular FormulaC10H18ClN
Molecular Weight187.71 g/mol
Exact Mass187.11
IUPAC Name2-chloro-N-[(1S)-1-cyclopentylethyl]prop-2-en-1-amine
SMILESC=C(Cl)CN[C@@H](C)C1CCCC1
InChIInChI=1S/C10H18ClN/c1-8(11)7-12-9(2)10-5-3-4-6-10/h9-10,12H,1,3-7H2,2H3/t9-/m0/s1
InChIKeyUWCZVHZKCSWFLZ-VIFPVBQESA-N
XLogP2.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.71
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-N-[(1S)-1-cycloheptylethyl]prop-2-en-1-amine
CID 81392005
3-chloro-N-[(1R)-1-cyclohexylethyl]-2-methylprop-2-en-1-amine
CID 106437955
2-[[(1R)-1-cycloheptylethyl]amino]acetamide
CID 81392535
methyl 2-[[(1S)-1-cyclopentylethyl]amino]acetate
CID 81395951
N-(1-cyclohexylethyl)-2-phenylprop-2-en-1-amine
CID 113288150
2-(1-cyclopentylethylamino)-N'-hydroxyethanimidamide
CID 77029717
N-[(1S)-1-cycloheptylethyl]-3-methylbut-3-en-1-amine
CID 104929557
N-(1-cyclohexylethyl)-3-methylbut-3-en-1-amine
CID 114449114
1-cyclopentyl-N-ethylethanamine
CID 60819244
(2R)-1-[[(1S)-1-cyclopentylethyl]amino]propan-2-ol
CID 94524291
2,3-dichloro-N-(1-cyclopropylethyl)prop-2-en-1-amine
CID 79167060
N-[(1R)-1-cyclopentylethyl]-2-methylpropan-1-amine
CID 81394382

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1S)-1-cyclopentylethyl]prop-2-en-1-amine?
The IUPAC name of 2-chloro-N-[(1S)-1-cyclopentylethyl]prop-2-en-1-amine (CID 81394329) is 2-chloro-N-[(1S)-1-cyclopentylethyl]prop-2-en-1-amine.
What is the SMILES notation for 2-chloro-N-[(1S)-1-cyclopentylethyl]prop-2-en-1-amine?
The canonical SMILES for 2-chloro-N-[(1S)-1-cyclopentylethyl]prop-2-en-1-amine is C=C(Cl)CN[C@@H](C)C1CCCC1.
What is the InChIKey of 2-chloro-N-[(1S)-1-cyclopentylethyl]prop-2-en-1-amine?
The InChIKey is UWCZVHZKCSWFLZ-VIFPVBQESA-N. The full InChI is InChI=1S/C10H18ClN/c1-8(11)7-12-9(2)10-5-3-4-6-10/h9-10,12H,1,3-7H2,2H3/t9-/m0/s1.
What are the key properties of 2-chloro-N-[(1S)-1-cyclopentylethyl]prop-2-en-1-amine?
2-chloro-N-[(1S)-1-cyclopentylethyl]prop-2-en-1-amine has a molecular weight of 187.71 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(1S)-1-cyclopentylethyl]prop-2-en-1-amine is sourced from PubChem (CID 81394329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).