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

C13H25NO — CID 103874739

IUPAC[(1R,4S)-4-(heptan-2-ylamino)cyclopent-2-en-1-yl]methanol
SMILESCCCCCC(C)N[C@@H]1C=C[C@H](CO)C1
InChIInChI=1S/C13H25NO/c1-3-4-5-6-11(2)14-13-8-7-12(9-13)10-15/h7-8,11-15H,3-6,9-10H2,1-2H3/t11?,12-,13+/m0/s1
InChIKeyARMHWMCOADFLHU-LWNNLKQOSA-N
MW211.35 g/mol
LogP2.48
Rot. Bonds7

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

[(1R,4S)-4-(heptan-2-ylamino)cyclopent-2-en-1-yl]methanol (PubChem CID 103874739) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is [(1R,4S)-4-(heptan-2-ylamino)cyclopent-2-en-1-yl]methanol.

Molecular Properties

Compound Name[(1R,4S)-4-(heptan-2-ylamino)cyclopent-2-en-1-yl]methanol
PubChem CID103874739
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name[(1R,4S)-4-(heptan-2-ylamino)cyclopent-2-en-1-yl]methanol
SMILESCCCCCC(C)N[C@@H]1C=C[C@H](CO)C1
InChIInChI=1S/C13H25NO/c1-3-4-5-6-11(2)14-13-8-7-12(9-13)10-15/h7-8,11-15H,3-6,9-10H2,1-2H3/t11?,12-,13+/m0/s1
InChIKeyARMHWMCOADFLHU-LWNNLKQOSA-N
XLogP2.48
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(1R,4S)-4-(2-methylpentylamino)cyclopent-2-en-1-yl]methanol
CID 103925169
[4-(heptan-2-ylamino)cyclohexyl]methanol
CID 103788540
N-octan-2-yl-3-propan-2-ylcyclobutan-1-amine
CID 103561562
N-octan-2-ylbicyclo[3.2.0]hept-3-en-6-amine
CID 43223044
[2-(octan-2-ylamino)cyclopentyl]methanol
CID 115723808
trans-(1R,2R)-2-[[(2S)-heptan-2-yl]amino]cyclohexan-1-ol
CID 124618869
N-heptan-2-ylbicyclo[2.2.1]heptan-2-amine
CID 61309535
1-N-heptan-2-ylcyclohexane-1,3-diamine
CID 79459220
N-heptan-2-ylcycloheptanamine
CID 43082272
3-ethoxy-N-nonan-2-ylcyclobutan-1-amine
CID 114118781
N-nonan-2-ylcyclohexanamine
CID 43129679
N-octan-2-ylcyclohexanamine
CID 13244945

Frequently Asked Questions

What is the IUPAC name of [(1R,4S)-4-(heptan-2-ylamino)cyclopent-2-en-1-yl]methanol?
The IUPAC name of [(1R,4S)-4-(heptan-2-ylamino)cyclopent-2-en-1-yl]methanol (CID 103874739) is [(1R,4S)-4-(heptan-2-ylamino)cyclopent-2-en-1-yl]methanol.
What is the SMILES notation for [(1R,4S)-4-(heptan-2-ylamino)cyclopent-2-en-1-yl]methanol?
The canonical SMILES for [(1R,4S)-4-(heptan-2-ylamino)cyclopent-2-en-1-yl]methanol is CCCCCC(C)N[C@@H]1C=C[C@H](CO)C1.
What is the InChIKey of [(1R,4S)-4-(heptan-2-ylamino)cyclopent-2-en-1-yl]methanol?
The InChIKey is ARMHWMCOADFLHU-LWNNLKQOSA-N. The full InChI is InChI=1S/C13H25NO/c1-3-4-5-6-11(2)14-13-8-7-12(9-13)10-15/h7-8,11-15H,3-6,9-10H2,1-2H3/t11?,12-,13+/m0/s1.
What are the key properties of [(1R,4S)-4-(heptan-2-ylamino)cyclopent-2-en-1-yl]methanol?
[(1R,4S)-4-(heptan-2-ylamino)cyclopent-2-en-1-yl]methanol has a molecular weight of 211.35 g/mol, XLogP of 2.48, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,4S)-4-(heptan-2-ylamino)cyclopent-2-en-1-yl]methanol is sourced from PubChem (CID 103874739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).