[(1R,4S)-4-[1-(oxan-4-yl)ethylamino]cyclopent-2-en-1-yl]methanol

C13H23NO2 — CID 103874732

IUPAC[(1R,4S)-4-[1-(oxan-4-yl)ethylamino]cyclopent-2-en-1-yl]methanol
SMILESCC(N[C@@H]1C=C[C@H](CO)C1)C1CCOCC1
InChIInChI=1S/C13H23NO2/c1-10(12-4-6-16-7-5-12)14-13-3-2-11(8-13)9-15/h2-3,10-15H,4-9H2,1H3/t10?,11-,13+/m0/s1
InChIKeyIDYPLANHMKCRCJ-QMDRTORHSA-N
MW225.33 g/mol
LogP1.33
Rot. Bonds4

About [(1R,4S)-4-[1-(oxan-4-yl)ethylamino]cyclopent-2-en-1-yl]methanol

[(1R,4S)-4-[1-(oxan-4-yl)ethylamino]cyclopent-2-en-1-yl]methanol (PubChem CID 103874732) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is [(1R,4S)-4-[1-(oxan-4-yl)ethylamino]cyclopent-2-en-1-yl]methanol.

Molecular Properties

Compound Name[(1R,4S)-4-[1-(oxan-4-yl)ethylamino]cyclopent-2-en-1-yl]methanol
PubChem CID103874732
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name[(1R,4S)-4-[1-(oxan-4-yl)ethylamino]cyclopent-2-en-1-yl]methanol
SMILESCC(N[C@@H]1C=C[C@H](CO)C1)C1CCOCC1
InChIInChI=1S/C13H23NO2/c1-10(12-4-6-16-7-5-12)14-13-3-2-11(8-13)9-15/h2-3,10-15H,4-9H2,1H3/t10?,11-,13+/m0/s1
InChIKeyIDYPLANHMKCRCJ-QMDRTORHSA-N
XLogP1.33
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [(1R,4S)-4-[1-(oxan-4-yl)ethylamino]cyclopent-2-en-1-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(1R,4S)-4-[1-(oxolan-3-yl)propylamino]cyclopent-2-en-1-yl]methanol
CID 103874731
1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[1-(oxan-3-yl)ethyl]urea
CID 127785789
[(1R,4S)-4-(heptan-2-ylamino)cyclopent-2-en-1-yl]methanol
CID 103874739
N-[1-(oxan-4-yl)ethyl]-3-propan-2-ylcyclohexan-1-amine
CID 103781048
4-methyl-N-[1-(oxan-4-yl)ethyl]cyclohexan-1-amine
CID 103901835
3-ethyl-N-[1-(oxan-4-yl)ethyl]cyclohexan-1-amine
CID 103785689
[1-[[1-(oxan-4-yl)ethylamino]methyl]cyclohexyl]methanol
CID 103903221
[(1R,4S)-4-[1-(4-bromo-2-fluorophenyl)ethylamino]cyclopent-2-en-1-yl]methanol
CID 86804132
N-[4-(hydroxymethyl)cyclopent-2-en-1-yl]acetamide;vanadium
CID 162196806
3-methyl-N-[1-(oxan-4-yl)ethyl]pentan-3-amine
CID 115920350
2-(methylamino)-N-[1-(oxan-4-yl)ethyl]acetamide;hydrochloride
CID 119801745
4-[1-(oxan-4-yl)ethylamino]butan-2-ol
CID 115720280

Frequently Asked Questions

What is the IUPAC name of [(1R,4S)-4-[1-(oxan-4-yl)ethylamino]cyclopent-2-en-1-yl]methanol?
The IUPAC name of [(1R,4S)-4-[1-(oxan-4-yl)ethylamino]cyclopent-2-en-1-yl]methanol (CID 103874732) is [(1R,4S)-4-[1-(oxan-4-yl)ethylamino]cyclopent-2-en-1-yl]methanol.
What is the SMILES notation for [(1R,4S)-4-[1-(oxan-4-yl)ethylamino]cyclopent-2-en-1-yl]methanol?
The canonical SMILES for [(1R,4S)-4-[1-(oxan-4-yl)ethylamino]cyclopent-2-en-1-yl]methanol is CC(N[C@@H]1C=C[C@H](CO)C1)C1CCOCC1.
What is the InChIKey of [(1R,4S)-4-[1-(oxan-4-yl)ethylamino]cyclopent-2-en-1-yl]methanol?
The InChIKey is IDYPLANHMKCRCJ-QMDRTORHSA-N. The full InChI is InChI=1S/C13H23NO2/c1-10(12-4-6-16-7-5-12)14-13-3-2-11(8-13)9-15/h2-3,10-15H,4-9H2,1H3/t10?,11-,13+/m0/s1.
What are the key properties of [(1R,4S)-4-[1-(oxan-4-yl)ethylamino]cyclopent-2-en-1-yl]methanol?
[(1R,4S)-4-[1-(oxan-4-yl)ethylamino]cyclopent-2-en-1-yl]methanol has a molecular weight of 225.33 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,4S)-4-[1-(oxan-4-yl)ethylamino]cyclopent-2-en-1-yl]methanol is sourced from PubChem (CID 103874732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).