(1S)-5-(3-aminoprop-1-en-2-yl)-1-(cyclopenten-1-yl)-2-methylcyclohex-2-en-1-ol

C15H23NO — CID 162417269

IUPAC(1S)-5-(3-aminoprop-1-en-2-yl)-1-(cyclopenten-1-yl)-2-methylcyclohex-2-en-1-ol
SMILESC=C(CN)C1CC=C(C)[C@](O)(C2=CCCC2)C1
InChIInChI=1S/C15H23NO/c1-11(10-16)13-8-7-12(2)15(17,9-13)14-5-3-4-6-14/h5,7,13,17H,1,3-4,6,8-10,16H2,2H3/t13?,15-/m0/s1
InChIKeyWDQRNXHQNTWHPK-WUJWULDRSA-N
MW233.35 g/mol
LogP2.70
Rot. Bonds3

About (1S)-5-(3-aminoprop-1-en-2-yl)-1-(cyclopenten-1-yl)-2-methylcyclohex-2-en-1-ol

(1S)-5-(3-aminoprop-1-en-2-yl)-1-(cyclopenten-1-yl)-2-methylcyclohex-2-en-1-ol (PubChem CID 162417269) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is (1S)-5-(3-aminoprop-1-en-2-yl)-1-(cyclopenten-1-yl)-2-methylcyclohex-2-en-1-ol.

Molecular Properties

Compound Name(1S)-5-(3-aminoprop-1-en-2-yl)-1-(cyclopenten-1-yl)-2-methylcyclohex-2-en-1-ol
PubChem CID162417269
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name(1S)-5-(3-aminoprop-1-en-2-yl)-1-(cyclopenten-1-yl)-2-methylcyclohex-2-en-1-ol
SMILESC=C(CN)C1CC=C(C)[C@](O)(C2=CCCC2)C1
InChIInChI=1S/C15H23NO/c1-11(10-16)13-8-7-12(2)15(17,9-13)14-5-3-4-6-14/h5,7,13,17H,1,3-4,6,8-10,16H2,2H3/t13?,15-/m0/s1
InChIKeyWDQRNXHQNTWHPK-WUJWULDRSA-N
XLogP2.70
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1S)-5-(3-aminoprop-1-en-2-yl)-1-(cyclopenten-1-yl)-2-methylcyclohex-2-en-1-ol with MolForge

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Related Compounds

(4R,6R)-6-(aminomethyl)-1-methyl-4-(prop-1-en-2-yl)cyclohex-1-en-6-ol
CID 122366220
3-Amino-1,1,1-trifluoro-2-(4-methylcyclohex-1-en-1-yl)propan-2-ol
CID 165450824
3-Amino-2-(3,5-dimethylcyclohex-1-en-1-yl)-1,1,1-trifluoropropan-2-ol
CID 165450830
3-Amino-1,1,1-trifluoro-2-(4-propylcyclohex-1-en-1-yl)propan-2-ol
CID 165457808
3-Amino-2-(4-ethylcyclohex-1-en-1-yl)-1,1,1-trifluoropropan-2-ol
CID 165787948
2-(4-Aminomethyl-cyclohex-3-enyl)-propan-2-ol
CID 22612225
(S)-2-(4-Aminomethyl-cyclohex-3-enyl)-propan-2-ol
CID 59104125
2-[(1R)-4-(aminomethyl)cyclohex-3-en-1-yl]propan-2-ol
CID 59104145
Amino-(3-ethylcyclohexen-1-yl)methanol
CID 88980846
3-(Aminomethyl)bicyclo[3.3.1]non-2-en-1-ol
CID 89126559
3-(Aminomethyl)-6-propan-2-ylcyclohex-2-en-1-ol
CID 123756737
(1S)-2-(aminomethyl)-1-heptylcycloprop-2-en-1-ol
CID 139365753

Frequently Asked Questions

What is the IUPAC name of (1S)-5-(3-aminoprop-1-en-2-yl)-1-(cyclopenten-1-yl)-2-methylcyclohex-2-en-1-ol?
The IUPAC name of (1S)-5-(3-aminoprop-1-en-2-yl)-1-(cyclopenten-1-yl)-2-methylcyclohex-2-en-1-ol (CID 162417269) is (1S)-5-(3-aminoprop-1-en-2-yl)-1-(cyclopenten-1-yl)-2-methylcyclohex-2-en-1-ol.
What is the SMILES notation for (1S)-5-(3-aminoprop-1-en-2-yl)-1-(cyclopenten-1-yl)-2-methylcyclohex-2-en-1-ol?
The canonical SMILES for (1S)-5-(3-aminoprop-1-en-2-yl)-1-(cyclopenten-1-yl)-2-methylcyclohex-2-en-1-ol is C=C(CN)C1CC=C(C)[C@](O)(C2=CCCC2)C1.
What is the InChIKey of (1S)-5-(3-aminoprop-1-en-2-yl)-1-(cyclopenten-1-yl)-2-methylcyclohex-2-en-1-ol?
The InChIKey is WDQRNXHQNTWHPK-WUJWULDRSA-N. The full InChI is InChI=1S/C15H23NO/c1-11(10-16)13-8-7-12(2)15(17,9-13)14-5-3-4-6-14/h5,7,13,17H,1,3-4,6,8-10,16H2,2H3/t13?,15-/m0/s1.
What are the key properties of (1S)-5-(3-aminoprop-1-en-2-yl)-1-(cyclopenten-1-yl)-2-methylcyclohex-2-en-1-ol?
(1S)-5-(3-aminoprop-1-en-2-yl)-1-(cyclopenten-1-yl)-2-methylcyclohex-2-en-1-ol has a molecular weight of 233.35 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-5-(3-aminoprop-1-en-2-yl)-1-(cyclopenten-1-yl)-2-methylcyclohex-2-en-1-ol is sourced from PubChem (CID 162417269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).