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

C12H23NO — CID 103925169

IUPAC[(1R,4S)-4-(2-methylpentylamino)cyclopent-2-en-1-yl]methanol
SMILESCCCC(C)CN[C@@H]1C=C[C@H](CO)C1
InChIInChI=1S/C12H23NO/c1-3-4-10(2)8-13-12-6-5-11(7-12)9-14/h5-6,10-14H,3-4,7-9H2,1-2H3/t10?,11-,12+/m0/s1
InChIKeyBMIAPIZUZACUQU-GLXQMMQGSA-N
MW197.32 g/mol
LogP1.95
Rot. Bonds6

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

[(1R,4S)-4-(2-methylpentylamino)cyclopent-2-en-1-yl]methanol (PubChem CID 103925169) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is [(1R,4S)-4-(2-methylpentylamino)cyclopent-2-en-1-yl]methanol.

Molecular Properties

Compound Name[(1R,4S)-4-(2-methylpentylamino)cyclopent-2-en-1-yl]methanol
PubChem CID103925169
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name[(1R,4S)-4-(2-methylpentylamino)cyclopent-2-en-1-yl]methanol
SMILESCCCC(C)CN[C@@H]1C=C[C@H](CO)C1
InChIInChI=1S/C12H23NO/c1-3-4-10(2)8-13-12-6-5-11(7-12)9-14/h5-6,10-14H,3-4,7-9H2,1-2H3/t10?,11-,12+/m0/s1
InChIKeyBMIAPIZUZACUQU-GLXQMMQGSA-N
XLogP1.95
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(1R,4S)-4-(heptan-2-ylamino)cyclopent-2-en-1-yl]methanol
CID 103874739
4-(2-methylpentylamino)oxolan-3-ol
CID 115919683
N-[4-(hydroxymethyl)cyclopent-2-en-1-yl]acetamide;vanadium
CID 162196806
3-ethylsulfanyl-N-(2-methylpentyl)cyclopentan-1-amine
CID 115907891
[(1R,4S)-4-[(5-methyl-2-pyridinyl)methylamino]cyclopent-2-en-1-yl]methanol
CID 103778301
3-methyl-4-(2-methylpentylamino)butan-1-ol
CID 66092685
[(1R,4S)-4-[(5-bromo-4-methylthiophen-2-yl)methylamino]cyclopent-2-en-1-yl]methanol
CID 103778295
N-[2-methyl-3-(2-methylpentoxy)propyl]cyclopropanamine
CID 103284483
bis([(1S,4R)-4-aminocyclopent-2-en-1-yl]methanol);hydrochloride
CID 159585552
2-(2-methylpentylamino)propane-1,3-diol
CID 65315712
1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[2-methyl-3-(2-methylimidazol-1-yl)propyl]urea
CID 111630821
tert-butyl (3R)-3-[(1S)-1-[[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]amino]ethyl]piperidine-1-carboxylate
CID 99615275

Frequently Asked Questions

What is the IUPAC name of [(1R,4S)-4-(2-methylpentylamino)cyclopent-2-en-1-yl]methanol?
The IUPAC name of [(1R,4S)-4-(2-methylpentylamino)cyclopent-2-en-1-yl]methanol (CID 103925169) is [(1R,4S)-4-(2-methylpentylamino)cyclopent-2-en-1-yl]methanol.
What is the SMILES notation for [(1R,4S)-4-(2-methylpentylamino)cyclopent-2-en-1-yl]methanol?
The canonical SMILES for [(1R,4S)-4-(2-methylpentylamino)cyclopent-2-en-1-yl]methanol is CCCC(C)CN[C@@H]1C=C[C@H](CO)C1.
What is the InChIKey of [(1R,4S)-4-(2-methylpentylamino)cyclopent-2-en-1-yl]methanol?
The InChIKey is BMIAPIZUZACUQU-GLXQMMQGSA-N. The full InChI is InChI=1S/C12H23NO/c1-3-4-10(2)8-13-12-6-5-11(7-12)9-14/h5-6,10-14H,3-4,7-9H2,1-2H3/t10?,11-,12+/m0/s1.
What are the key properties of [(1R,4S)-4-(2-methylpentylamino)cyclopent-2-en-1-yl]methanol?
[(1R,4S)-4-(2-methylpentylamino)cyclopent-2-en-1-yl]methanol has a molecular weight of 197.32 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,4S)-4-(2-methylpentylamino)cyclopent-2-en-1-yl]methanol is sourced from PubChem (CID 103925169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).