(1R,5R)-1-(aminomethyl)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol

C11H19NO — CID 122366220

IUPAC(1R,5R)-1-(aminomethyl)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol
SMILESC=C(C)[C@@H]1CC=C(C)[C@@](O)(CN)C1
InChIInChI=1S/C11H19NO/c1-8(2)10-5-4-9(3)11(13,6-10)7-12/h4,10,13H,1,5-7,12H2,2-3H3/t10-,11+/m1/s1
InChIKeyVJCLREKVSXPANO-MNOVXSKESA-N
MW181.28 g/mol
LogP1.61
Rot. Bonds2

About (1R,5R)-1-(aminomethyl)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol

(1R,5R)-1-(aminomethyl)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol (PubChem CID 122366220) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is (1R,5R)-1-(aminomethyl)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol.

Molecular Properties

Compound Name(1R,5R)-1-(aminomethyl)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol
PubChem CID122366220
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name(1R,5R)-1-(aminomethyl)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol
SMILESC=C(C)[C@@H]1CC=C(C)[C@@](O)(CN)C1
InChIInChI=1S/C11H19NO/c1-8(2)10-5-4-9(3)11(13,6-10)7-12/h4,10,13H,1,5-7,12H2,2-3H3/t10-,11+/m1/s1
InChIKeyVJCLREKVSXPANO-MNOVXSKESA-N
XLogP1.61
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1R,5R)-1-(aminomethyl)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol 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

(1S)-5-(3-aminoprop-1-en-2-yl)-1-(cyclopenten-1-yl)-2-methylcyclohex-2-en-1-ol
CID 162417269
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
m-Diethyl-aminophenol
CID 69344032
3-(Aminomethyl)-5,6-dimethylcyclohex-2-en-1-ol
CID 129151615
1-(Aminomethyl)-6-methyl-2,3,4,6-tetrahydrobenzo[7]annulen-1-ol
CID 141951006
5-[4-(Aminomethyl)cyclohexen-1-yl]-2-methylpentan-2-ol
CID 142066699

Frequently Asked Questions

What is the IUPAC name of (1R,5R)-1-(aminomethyl)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol?
The IUPAC name of (1R,5R)-1-(aminomethyl)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol (CID 122366220) is (1R,5R)-1-(aminomethyl)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol.
What is the SMILES notation for (1R,5R)-1-(aminomethyl)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol?
The canonical SMILES for (1R,5R)-1-(aminomethyl)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol is C=C(C)[C@@H]1CC=C(C)[C@@](O)(CN)C1.
What is the InChIKey of (1R,5R)-1-(aminomethyl)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol?
The InChIKey is VJCLREKVSXPANO-MNOVXSKESA-N. The full InChI is InChI=1S/C11H19NO/c1-8(2)10-5-4-9(3)11(13,6-10)7-12/h4,10,13H,1,5-7,12H2,2-3H3/t10-,11+/m1/s1.
What are the key properties of (1R,5R)-1-(aminomethyl)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol?
(1R,5R)-1-(aminomethyl)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol has a molecular weight of 181.28 g/mol, XLogP of 1.61, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R)-1-(aminomethyl)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol is sourced from PubChem (CID 122366220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).