(3S)-1-(1,4,4-trimethylcyclohexyl)pyrrolidin-3-ol

C13H25NO — CID 58689258

IUPAC(3S)-1-(1,4,4-trimethylcyclohexyl)pyrrolidin-3-ol
SMILESCC1(C)CCC(C)(N2CC[C@H](O)C2)CC1
InChIInChI=1S/C13H25NO/c1-12(2)5-7-13(3,8-6-12)14-9-4-11(15)10-14/h11,15H,4-10H2,1-3H3/t11-/m0/s1
InChIKeyPJUGUBSZUFWHLQ-NSHDSACASA-N
MW211.35 g/mol
LogP2.41
Rot. Bonds1

About (3S)-1-(1,4,4-trimethylcyclohexyl)pyrrolidin-3-ol

(3S)-1-(1,4,4-trimethylcyclohexyl)pyrrolidin-3-ol (PubChem CID 58689258) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is (3S)-1-(1,4,4-trimethylcyclohexyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S)-1-(1,4,4-trimethylcyclohexyl)pyrrolidin-3-ol
PubChem CID58689258
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name(3S)-1-(1,4,4-trimethylcyclohexyl)pyrrolidin-3-ol
SMILESCC1(C)CCC(C)(N2CC[C@H](O)C2)CC1
InChIInChI=1S/C13H25NO/c1-12(2)5-7-13(3,8-6-12)14-9-4-11(15)10-14/h11,15H,4-10H2,1-3H3/t11-/m0/s1
InChIKeyPJUGUBSZUFWHLQ-NSHDSACASA-N
XLogP2.41
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3S)-1-(1,4,4-trimethylcyclohexyl)pyrrolidin-3-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

2-((5r,8s)-8-Propyl-1-azaspiro[4.5]decan-1-yl)ethan-1-ol
CID 72376534
1-(4-Methylcyclohexyl)pyrrolidin-3-ol
CID 58394958
1-(4-(Tert-butyl)cyclohexyl)pyrrolidin-3-ol
CID 58395297
(3S)-1-(4-methylcyclohexyl)pyrrolidin-3-ol
CID 58662056
1-[(3S)-3-hydroxypyrrolidin-1-yl]-4,4-dimethylcyclohexane-1-carbonitrile
CID 58689170
(3S)-1-[4,4-dimethyl-1-(methylaminomethyl)cyclohexyl]pyrrolidin-3-ol
CID 58689270
1-(4-Ethylcyclohexyl)pyrrolidin-3-ol
CID 64775694
(3R)-1-[(4-propan-2-ylcyclohexyl)methyl]pyrrolidin-3-ol
CID 68067724
(3S)-1-[(4-propan-2-ylcyclohexyl)methyl]pyrrolidin-3-ol
CID 68067726
(3S)-1-(4-propan-2-ylcyclohexyl)pyrrolidin-3-ol
CID 68067727
(3R)-1-(4-propan-2-ylcyclohexyl)pyrrolidin-3-ol
CID 68067728
1-(1,4,4-Trimethylcyclohexyl)pyrrolidin-3-ol
CID 72392867

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(1,4,4-trimethylcyclohexyl)pyrrolidin-3-ol?
The IUPAC name of (3S)-1-(1,4,4-trimethylcyclohexyl)pyrrolidin-3-ol (CID 58689258) is (3S)-1-(1,4,4-trimethylcyclohexyl)pyrrolidin-3-ol.
What is the SMILES notation for (3S)-1-(1,4,4-trimethylcyclohexyl)pyrrolidin-3-ol?
The canonical SMILES for (3S)-1-(1,4,4-trimethylcyclohexyl)pyrrolidin-3-ol is CC1(C)CCC(C)(N2CC[C@H](O)C2)CC1.
What is the InChIKey of (3S)-1-(1,4,4-trimethylcyclohexyl)pyrrolidin-3-ol?
The InChIKey is PJUGUBSZUFWHLQ-NSHDSACASA-N. The full InChI is InChI=1S/C13H25NO/c1-12(2)5-7-13(3,8-6-12)14-9-4-11(15)10-14/h11,15H,4-10H2,1-3H3/t11-/m0/s1.
What are the key properties of (3S)-1-(1,4,4-trimethylcyclohexyl)pyrrolidin-3-ol?
(3S)-1-(1,4,4-trimethylcyclohexyl)pyrrolidin-3-ol has a molecular weight of 211.35 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(1,4,4-trimethylcyclohexyl)pyrrolidin-3-ol is sourced from PubChem (CID 58689258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).