(1S)-N-[(1R)-1-phenylethyl]cyclopent-2-en-1-amine

C13H17N — CID 122395369

IUPAC(1S)-N-[(1R)-1-phenylethyl]cyclopent-2-en-1-amine
SMILESC[C@@H](N[C@@H]1C=CCC1)c1ccccc1
InChIInChI=1S/C13H17N/c1-11(12-7-3-2-4-8-12)14-13-9-5-6-10-13/h2-5,7-9,11,13-14H,6,10H2,1H3/t11-,13-/m1/s1
InChIKeyMXHFWIJSPBLQGC-DGCLKSJQSA-N
MW187.29 g/mol
LogP3.06
Rot. Bonds3

About (1S)-N-[(1R)-1-phenylethyl]cyclopent-2-en-1-amine

(1S)-N-[(1R)-1-phenylethyl]cyclopent-2-en-1-amine (PubChem CID 122395369) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is (1S)-N-[(1R)-1-phenylethyl]cyclopent-2-en-1-amine.

Molecular Properties

Compound Name(1S)-N-[(1R)-1-phenylethyl]cyclopent-2-en-1-amine
PubChem CID122395369
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name(1S)-N-[(1R)-1-phenylethyl]cyclopent-2-en-1-amine
SMILESC[C@@H](N[C@@H]1C=CCC1)c1ccccc1
InChIInChI=1S/C13H17N/c1-11(12-7-3-2-4-8-12)14-13-9-5-6-10-13/h2-5,7-9,11,13-14H,6,10H2,1H3/t11-,13-/m1/s1
InChIKeyMXHFWIJSPBLQGC-DGCLKSJQSA-N
XLogP3.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(1-phenylethyl)cyclohex-2-en-1-amine
CID 103846518
N-[(1S)-1-(3-chlorophenyl)ethyl]cyclohex-2-en-1-amine
CID 107907455
N-[1-(5-bromofuran-2-yl)ethyl]cyclopent-2-en-1-amine
CID 164654731
1-N,2-N-bis(1-phenylethyl)cyclopentane-1,2-diamine
CID 23154294
N-(1-phenylethyl)cyclododecanamine
CID 60662638
(1S)-N-[[(1S)-cyclohex-3-en-1-yl]methyl]-1-phenylethanamine
CID 40641093
N-(1-pyridin-2-ylethyl)cyclohex-2-en-1-amine
CID 115893628
3-[(1R)-1-[[(1S)-cyclohex-2-en-1-yl]amino]ethyl]-N-methylbenzenesulfonamide
CID 97102694
cis-(1S,2R)-2-[[(1R)-1-phenylethyl]amino]cyclobutan-1-ol
CID 10609367
benzyl (1S,2S)-2-[[(1R)-1-phenylethyl]amino]cyclohex-3-ene-1-carboxylate
CID 10980580
N-(1-phenylethyl)oxan-4-amine
CID 43608319
N-[(1S)-1-phenylethyl]piperidin-4-amine
CID 81351686

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(1R)-1-phenylethyl]cyclopent-2-en-1-amine?
The IUPAC name of (1S)-N-[(1R)-1-phenylethyl]cyclopent-2-en-1-amine (CID 122395369) is (1S)-N-[(1R)-1-phenylethyl]cyclopent-2-en-1-amine.
What is the SMILES notation for (1S)-N-[(1R)-1-phenylethyl]cyclopent-2-en-1-amine?
The canonical SMILES for (1S)-N-[(1R)-1-phenylethyl]cyclopent-2-en-1-amine is C[C@@H](N[C@@H]1C=CCC1)c1ccccc1.
What is the InChIKey of (1S)-N-[(1R)-1-phenylethyl]cyclopent-2-en-1-amine?
The InChIKey is MXHFWIJSPBLQGC-DGCLKSJQSA-N. The full InChI is InChI=1S/C13H17N/c1-11(12-7-3-2-4-8-12)14-13-9-5-6-10-13/h2-5,7-9,11,13-14H,6,10H2,1H3/t11-,13-/m1/s1.
What are the key properties of (1S)-N-[(1R)-1-phenylethyl]cyclopent-2-en-1-amine?
(1S)-N-[(1R)-1-phenylethyl]cyclopent-2-en-1-amine has a molecular weight of 187.29 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(1R)-1-phenylethyl]cyclopent-2-en-1-amine is sourced from PubChem (CID 122395369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).