[(1R,4S)-4-[(5-methyl-2-pyridinyl)methylamino]cyclopent-2-en-1-yl]methanol

C13H18N2O — CID 103778301

IUPAC[(1R,4S)-4-[(5-methyl-2-pyridinyl)methylamino]cyclopent-2-en-1-yl]methanol
SMILESCc1ccc(CN[C@@H]2C=C[C@H](CO)C2)nc1
InChIInChI=1S/C13H18N2O/c1-10-2-4-13(14-7-10)8-15-12-5-3-11(6-12)9-16/h2-5,7,11-12,15-16H,6,8-9H2,1H3/t11-,12+/m0/s1
InChIKeyYACZQKAQGSGAOZ-NWDGAFQWSA-N
MW218.30 g/mol
LogP1.42
Rot. Bonds4

About [(1R,4S)-4-[(5-methyl-2-pyridinyl)methylamino]cyclopent-2-en-1-yl]methanol

[(1R,4S)-4-[(5-methyl-2-pyridinyl)methylamino]cyclopent-2-en-1-yl]methanol (PubChem CID 103778301) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is [(1R,4S)-4-[(5-methyl-2-pyridinyl)methylamino]cyclopent-2-en-1-yl]methanol.

Molecular Properties

Compound Name[(1R,4S)-4-[(5-methyl-2-pyridinyl)methylamino]cyclopent-2-en-1-yl]methanol
PubChem CID103778301
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name[(1R,4S)-4-[(5-methyl-2-pyridinyl)methylamino]cyclopent-2-en-1-yl]methanol
SMILESCc1ccc(CN[C@@H]2C=C[C@H](CO)C2)nc1
InChIInChI=1S/C13H18N2O/c1-10-2-4-13(14-7-10)8-15-12-5-3-11(6-12)9-16/h2-5,7,11-12,15-16H,6,8-9H2,1H3/t11-,12+/m0/s1
InChIKeyYACZQKAQGSGAOZ-NWDGAFQWSA-N
XLogP1.42
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(5-methyl-2-pyridinyl)methylamino]cyclobutan-1-ol
CID 81312592
N-[(5-methyl-2-pyridinyl)methyl]cyclopropanamine
CID 80708604
2,2,3,3-tetramethyl-N-[(5-methyl-2-pyridinyl)methyl]cyclopropan-1-amine
CID 81311612
[(1R,4S)-4-[(5-bromo-4-methylthiophen-2-yl)methylamino]cyclopent-2-en-1-yl]methanol
CID 103778295
N-[(5-methyl-2-pyridinyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 80710323
N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-1-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 111696767
2,4-dimethyl-N-[(5-methyl-2-pyridinyl)methyl]cyclohexan-1-amine
CID 80709898
N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-6-methylpyridine-3-carboxamide
CID 111661211
1-(2-methylcyclopropyl)-N-[(5-methyl-2-pyridinyl)methyl]methanamine
CID 115698887
4-methyl-N-[(5-methyl-2-pyridinyl)methyl]cycloheptan-1-amine
CID 102795078
2-(5-methyl-2-pyridinyl)ethanol
CID 14546495
(5-methyl-2-pyridinyl)methanol;hydrochloride
CID 91620369

Frequently Asked Questions

What is the IUPAC name of [(1R,4S)-4-[(5-methyl-2-pyridinyl)methylamino]cyclopent-2-en-1-yl]methanol?
The IUPAC name of [(1R,4S)-4-[(5-methyl-2-pyridinyl)methylamino]cyclopent-2-en-1-yl]methanol (CID 103778301) is [(1R,4S)-4-[(5-methyl-2-pyridinyl)methylamino]cyclopent-2-en-1-yl]methanol.
What is the SMILES notation for [(1R,4S)-4-[(5-methyl-2-pyridinyl)methylamino]cyclopent-2-en-1-yl]methanol?
The canonical SMILES for [(1R,4S)-4-[(5-methyl-2-pyridinyl)methylamino]cyclopent-2-en-1-yl]methanol is Cc1ccc(CN[C@@H]2C=C[C@H](CO)C2)nc1.
What is the InChIKey of [(1R,4S)-4-[(5-methyl-2-pyridinyl)methylamino]cyclopent-2-en-1-yl]methanol?
The InChIKey is YACZQKAQGSGAOZ-NWDGAFQWSA-N. The full InChI is InChI=1S/C13H18N2O/c1-10-2-4-13(14-7-10)8-15-12-5-3-11(6-12)9-16/h2-5,7,11-12,15-16H,6,8-9H2,1H3/t11-,12+/m0/s1.
What are the key properties of [(1R,4S)-4-[(5-methyl-2-pyridinyl)methylamino]cyclopent-2-en-1-yl]methanol?
[(1R,4S)-4-[(5-methyl-2-pyridinyl)methylamino]cyclopent-2-en-1-yl]methanol has a molecular weight of 218.30 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,4S)-4-[(5-methyl-2-pyridinyl)methylamino]cyclopent-2-en-1-yl]methanol is sourced from PubChem (CID 103778301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).