(1R,2S,5R)-5-methyl-2-[2-[(3S,4S)-3-methyl-4-prop-1-en-2-ylpyrrolidin-1-yl]propan-2-yl]cyclohexan-1-ol

C18H33NO — CID 11231308

IUPAC(1R,2S,5R)-5-methyl-2-[2-[(3S,4S)-3-methyl-4-prop-1-en-2-ylpyrrolidin-1-yl]propan-2-yl]cyclohexan-1-ol
SMILESC=C(C)[C@H]1CN(C(C)(C)[C@@H]2CC[C@@H](C)C[C@H]2O)C[C@H]1C
InChIInChI=1S/C18H33NO/c1-12(2)15-11-19(10-14(15)4)18(5,6)16-8-7-13(3)9-17(16)20/h13-17,20H,1,7-11H2,2-6H3/t13-,14-,15-,16-,17-/m1/s1
InChIKeyXAGWOHBKUJYZJH-WRQOLXDDSA-N
MW279.47 g/mol
LogP3.71
Rot. Bonds3

About (1R,2S,5R)-5-methyl-2-[2-[(3S,4S)-3-methyl-4-prop-1-en-2-ylpyrrolidin-1-yl]propan-2-yl]cyclohexan-1-ol

(1R,2S,5R)-5-methyl-2-[2-[(3S,4S)-3-methyl-4-prop-1-en-2-ylpyrrolidin-1-yl]propan-2-yl]cyclohexan-1-ol (PubChem CID 11231308) has the molecular formula C18H33NO and a molecular weight of 279.47 g/mol. Its IUPAC name is (1R,2S,5R)-5-methyl-2-[2-[(3S,4S)-3-methyl-4-prop-1-en-2-ylpyrrolidin-1-yl]propan-2-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name(1R,2S,5R)-5-methyl-2-[2-[(3S,4S)-3-methyl-4-prop-1-en-2-ylpyrrolidin-1-yl]propan-2-yl]cyclohexan-1-ol
PubChem CID11231308
Molecular FormulaC18H33NO
Molecular Weight279.47 g/mol
Exact Mass279.26
IUPAC Name(1R,2S,5R)-5-methyl-2-[2-[(3S,4S)-3-methyl-4-prop-1-en-2-ylpyrrolidin-1-yl]propan-2-yl]cyclohexan-1-ol
SMILESC=C(C)[C@H]1CN(C(C)(C)[C@@H]2CC[C@@H](C)C[C@H]2O)C[C@H]1C
InChIInChI=1S/C18H33NO/c1-12(2)15-11-19(10-14(15)4)18(5,6)16-8-7-13(3)9-17(16)20/h13-17,20H,1,7-11H2,2-6H3/t13-,14-,15-,16-,17-/m1/s1
InChIKeyXAGWOHBKUJYZJH-WRQOLXDDSA-N
XLogP3.71
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1R,2S,5R)-5-methyl-2-[2-[(3S,4S)-3-methyl-4-prop-1-en-2-ylpyrrolidin-1-yl]propan-2-yl]cyclohexan-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

(1R,2S,5R)-5-methyl-2-[2-[(2S,3S)-2-methyl-3-propan-2-ylpyrrolidin-1-yl]propan-2-yl]cyclohexan-1-ol
CID 11323509
(1R,2R,5S)-2-methyl-5-prop-1-en-2-yl-2-pyrrolidin-1-ylcyclohexan-1-ol
CID 11264560
(1S,2S,5R)-2-methyl-5-prop-1-en-2-yl-2-pyrrolidin-1-ylcyclohexan-1-ol
CID 18714359
2-Methyl-5-prop-1-en-2-yl-2-pyrrolidin-1-ylcyclohexan-1-ol
CID 22625217
(1R,2S,5R)-2-[2-[(3S,4S)-3,4-dimethylpyrrolidin-1-yl]propan-2-yl]-5-methylcyclohexan-1-ol
CID 10491113
(1R,2S,5R)-2-[2-[(3aS,5S,7aS)-5-ethyl-1,3,3a,4,5,7a-hexahydroisoindol-2-yl]propan-2-yl]-5-methylcyclohexan-1-ol
CID 10518701
(1R,2S,5R)-2-[2-[(3aS,5R,7aR)-5-ethyl-1,3,3a,4,5,7a-hexahydroisoindol-2-yl]propan-2-yl]-5-methylcyclohexan-1-ol
CID 10566524
(1R,2S,5R)-2-[2-[(3R,4R)-3,4-dimethylpyrrolidin-1-yl]propan-2-yl]-5-methylcyclohexan-1-ol
CID 10586997
(1R,2S,5R)-2-[2-[(3aR,5R,7aR)-5-ethyl-1,3,3a,4,5,7a-hexahydroisoindol-2-yl]propan-2-yl]-5-methylcyclohexan-1-ol
CID 10590724
(1R,2S,5R)-5-methyl-2-[2-[(3S)-3-propan-2-ylpyrrolidin-1-yl]propan-2-yl]cyclohexan-1-ol
CID 10635556
(1R,2S,5R)-2-[2-[(3S)-3-ethylpyrrolidin-1-yl]propan-2-yl]-5-methylcyclohexan-1-ol
CID 10682324
(1R,2S,5R)-2-[2-[(3R)-3-ethylpyrrolidin-1-yl]propan-2-yl]-5-methylcyclohexan-1-ol
CID 10729577

Frequently Asked Questions

What is the IUPAC name of (1R,2S,5R)-5-methyl-2-[2-[(3S,4S)-3-methyl-4-prop-1-en-2-ylpyrrolidin-1-yl]propan-2-yl]cyclohexan-1-ol?
The IUPAC name of (1R,2S,5R)-5-methyl-2-[2-[(3S,4S)-3-methyl-4-prop-1-en-2-ylpyrrolidin-1-yl]propan-2-yl]cyclohexan-1-ol (CID 11231308) is (1R,2S,5R)-5-methyl-2-[2-[(3S,4S)-3-methyl-4-prop-1-en-2-ylpyrrolidin-1-yl]propan-2-yl]cyclohexan-1-ol.
What is the SMILES notation for (1R,2S,5R)-5-methyl-2-[2-[(3S,4S)-3-methyl-4-prop-1-en-2-ylpyrrolidin-1-yl]propan-2-yl]cyclohexan-1-ol?
The canonical SMILES for (1R,2S,5R)-5-methyl-2-[2-[(3S,4S)-3-methyl-4-prop-1-en-2-ylpyrrolidin-1-yl]propan-2-yl]cyclohexan-1-ol is C=C(C)[C@H]1CN(C(C)(C)[C@@H]2CC[C@@H](C)C[C@H]2O)C[C@H]1C.
What is the InChIKey of (1R,2S,5R)-5-methyl-2-[2-[(3S,4S)-3-methyl-4-prop-1-en-2-ylpyrrolidin-1-yl]propan-2-yl]cyclohexan-1-ol?
The InChIKey is XAGWOHBKUJYZJH-WRQOLXDDSA-N. The full InChI is InChI=1S/C18H33NO/c1-12(2)15-11-19(10-14(15)4)18(5,6)16-8-7-13(3)9-17(16)20/h13-17,20H,1,7-11H2,2-6H3/t13-,14-,15-,16-,17-/m1/s1.
What are the key properties of (1R,2S,5R)-5-methyl-2-[2-[(3S,4S)-3-methyl-4-prop-1-en-2-ylpyrrolidin-1-yl]propan-2-yl]cyclohexan-1-ol?
(1R,2S,5R)-5-methyl-2-[2-[(3S,4S)-3-methyl-4-prop-1-en-2-ylpyrrolidin-1-yl]propan-2-yl]cyclohexan-1-ol has a molecular weight of 279.47 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,5R)-5-methyl-2-[2-[(3S,4S)-3-methyl-4-prop-1-en-2-ylpyrrolidin-1-yl]propan-2-yl]cyclohexan-1-ol is sourced from PubChem (CID 11231308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).