5-[(2S,3R)-1-(dimethylamino)-2-methylpentan-3-yl]-5-methylcyclohexa-1,3-dien-1-ol

C15H27NO — CID 170367953

IUPAC5-[(2S,3R)-1-(dimethylamino)-2-methylpentan-3-yl]-5-methylcyclohexa-1,3-dien-1-ol
SMILESCC[C@H]([C@H](C)CN(C)C)C1(C)C=CC=C(O)C1
InChIInChI=1S/C15H27NO/c1-6-14(12(2)11-16(4)5)15(3)9-7-8-13(17)10-15/h7-9,12,14,17H,6,10-11H2,1-5H3/t12-,14-,15?/m1/s1
InChIKeyHOBGREIRBQDOAN-QRYBPTEFSA-N
MW237.39 g/mol
LogP3.62
Rot. Bonds5

About 5-[(2S,3R)-1-(dimethylamino)-2-methylpentan-3-yl]-5-methylcyclohexa-1,3-dien-1-ol

5-[(2S,3R)-1-(dimethylamino)-2-methylpentan-3-yl]-5-methylcyclohexa-1,3-dien-1-ol (PubChem CID 170367953) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is 5-[(2S,3R)-1-(dimethylamino)-2-methylpentan-3-yl]-5-methylcyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name5-[(2S,3R)-1-(dimethylamino)-2-methylpentan-3-yl]-5-methylcyclohexa-1,3-dien-1-ol
PubChem CID170367953
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name5-[(2S,3R)-1-(dimethylamino)-2-methylpentan-3-yl]-5-methylcyclohexa-1,3-dien-1-ol
SMILESCC[C@H]([C@H](C)CN(C)C)C1(C)C=CC=C(O)C1
InChIInChI=1S/C15H27NO/c1-6-14(12(2)11-16(4)5)15(3)9-7-8-13(17)10-15/h7-9,12,14,17H,6,10-11H2,1-5H3/t12-,14-,15?/m1/s1
InChIKeyHOBGREIRBQDOAN-QRYBPTEFSA-N
XLogP3.62
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-[(2S,3R)-1-(dimethylamino)-2-methylpentan-3-yl]-5-methylcyclohexa-1,3-dien-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

Frequently Asked Questions

What is the IUPAC name of 5-[(2S,3R)-1-(dimethylamino)-2-methylpentan-3-yl]-5-methylcyclohexa-1,3-dien-1-ol?
The IUPAC name of 5-[(2S,3R)-1-(dimethylamino)-2-methylpentan-3-yl]-5-methylcyclohexa-1,3-dien-1-ol (CID 170367953) is 5-[(2S,3R)-1-(dimethylamino)-2-methylpentan-3-yl]-5-methylcyclohexa-1,3-dien-1-ol.
What is the SMILES notation for 5-[(2S,3R)-1-(dimethylamino)-2-methylpentan-3-yl]-5-methylcyclohexa-1,3-dien-1-ol?
The canonical SMILES for 5-[(2S,3R)-1-(dimethylamino)-2-methylpentan-3-yl]-5-methylcyclohexa-1,3-dien-1-ol is CC[C@H]([C@H](C)CN(C)C)C1(C)C=CC=C(O)C1.
What is the InChIKey of 5-[(2S,3R)-1-(dimethylamino)-2-methylpentan-3-yl]-5-methylcyclohexa-1,3-dien-1-ol?
The InChIKey is HOBGREIRBQDOAN-QRYBPTEFSA-N. The full InChI is InChI=1S/C15H27NO/c1-6-14(12(2)11-16(4)5)15(3)9-7-8-13(17)10-15/h7-9,12,14,17H,6,10-11H2,1-5H3/t12-,14-,15?/m1/s1.
What are the key properties of 5-[(2S,3R)-1-(dimethylamino)-2-methylpentan-3-yl]-5-methylcyclohexa-1,3-dien-1-ol?
5-[(2S,3R)-1-(dimethylamino)-2-methylpentan-3-yl]-5-methylcyclohexa-1,3-dien-1-ol has a molecular weight of 237.39 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S,3R)-1-(dimethylamino)-2-methylpentan-3-yl]-5-methylcyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 170367953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).