(1S,2S,4R)-2-(dimethylamino)-1-methyl-4-prop-1-en-2-ylcyclohexan-1-ol

C12H23NO — CID 10965481

IUPAC(1S,2S,4R)-2-(dimethylamino)-1-methyl-4-prop-1-en-2-ylcyclohexan-1-ol
SMILESC=C(C)[C@@H]1CC[C@](C)(O)[C@@H](N(C)C)C1
InChIInChI=1S/C12H23NO/c1-9(2)10-6-7-12(3,14)11(8-10)13(4)5/h10-11,14H,1,6-8H2,2-5H3/t10-,11+,12+/m1/s1
InChIKeyFGJZZJMJTUAJJI-WOPDTQHZSA-N
MW197.32 g/mol
LogP2.04
Rot. Bonds2

About (1S,2S,4R)-2-(dimethylamino)-1-methyl-4-prop-1-en-2-ylcyclohexan-1-ol

(1S,2S,4R)-2-(dimethylamino)-1-methyl-4-prop-1-en-2-ylcyclohexan-1-ol (PubChem CID 10965481) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is (1S,2S,4R)-2-(dimethylamino)-1-methyl-4-prop-1-en-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name(1S,2S,4R)-2-(dimethylamino)-1-methyl-4-prop-1-en-2-ylcyclohexan-1-ol
PubChem CID10965481
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name(1S,2S,4R)-2-(dimethylamino)-1-methyl-4-prop-1-en-2-ylcyclohexan-1-ol
SMILESC=C(C)[C@@H]1CC[C@](C)(O)[C@@H](N(C)C)C1
InChIInChI=1S/C12H23NO/c1-9(2)10-6-7-12(3,14)11(8-10)13(4)5/h10-11,14H,1,6-8H2,2-5H3/t10-,11+,12+/m1/s1
InChIKeyFGJZZJMJTUAJJI-WOPDTQHZSA-N
XLogP2.04
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1S,2S,4R)-2-(dimethylamino)-1-methyl-4-prop-1-en-2-ylcyclohexan-1-ol?
The IUPAC name of (1S,2S,4R)-2-(dimethylamino)-1-methyl-4-prop-1-en-2-ylcyclohexan-1-ol (CID 10965481) is (1S,2S,4R)-2-(dimethylamino)-1-methyl-4-prop-1-en-2-ylcyclohexan-1-ol.
What is the SMILES notation for (1S,2S,4R)-2-(dimethylamino)-1-methyl-4-prop-1-en-2-ylcyclohexan-1-ol?
The canonical SMILES for (1S,2S,4R)-2-(dimethylamino)-1-methyl-4-prop-1-en-2-ylcyclohexan-1-ol is C=C(C)[C@@H]1CC[C@](C)(O)[C@@H](N(C)C)C1.
What is the InChIKey of (1S,2S,4R)-2-(dimethylamino)-1-methyl-4-prop-1-en-2-ylcyclohexan-1-ol?
The InChIKey is FGJZZJMJTUAJJI-WOPDTQHZSA-N. The full InChI is InChI=1S/C12H23NO/c1-9(2)10-6-7-12(3,14)11(8-10)13(4)5/h10-11,14H,1,6-8H2,2-5H3/t10-,11+,12+/m1/s1.
What are the key properties of (1S,2S,4R)-2-(dimethylamino)-1-methyl-4-prop-1-en-2-ylcyclohexan-1-ol?
(1S,2S,4R)-2-(dimethylamino)-1-methyl-4-prop-1-en-2-ylcyclohexan-1-ol has a molecular weight of 197.32 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,4R)-2-(dimethylamino)-1-methyl-4-prop-1-en-2-ylcyclohexan-1-ol is sourced from PubChem (CID 10965481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).