3-(3,3-dimethylpyrrolidin-1-yl)-4-propylcyclohexan-1-ol

C15H29NO — CID 165497907

IUPAC3-(3,3-dimethylpyrrolidin-1-yl)-4-propylcyclohexan-1-ol
SMILESCCCC1CCC(O)CC1N1CCC(C)(C)C1
InChIInChI=1S/C15H29NO/c1-4-5-12-6-7-13(17)10-14(12)16-9-8-15(2,3)11-16/h12-14,17H,4-11H2,1-3H3
InChIKeyCQAFAKVXQSQHAK-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.05
Rot. Bonds3

About 3-(3,3-dimethylpyrrolidin-1-yl)-4-propylcyclohexan-1-ol

3-(3,3-dimethylpyrrolidin-1-yl)-4-propylcyclohexan-1-ol (PubChem CID 165497907) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 3-(3,3-dimethylpyrrolidin-1-yl)-4-propylcyclohexan-1-ol.

Molecular Properties

Compound Name3-(3,3-dimethylpyrrolidin-1-yl)-4-propylcyclohexan-1-ol
PubChem CID165497907
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name3-(3,3-dimethylpyrrolidin-1-yl)-4-propylcyclohexan-1-ol
SMILESCCCC1CCC(O)CC1N1CCC(C)(C)C1
InChIInChI=1S/C15H29NO/c1-4-5-12-6-7-13(17)10-14(12)16-9-8-15(2,3)11-16/h12-14,17H,4-11H2,1-3H3
InChIKeyCQAFAKVXQSQHAK-UHFFFAOYSA-N
XLogP3.05
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(azocan-1-yl)-4-propylcyclohexan-1-ol
CID 165499364
3-(4,4-dimethylpiperidin-1-yl)-4-methylcyclohexan-1-ol
CID 165491669
1-(5-hydroxy-2-propylcyclohexyl)-3-methylimidazolidine-2,4-dione
CID 165498798
3-(5-azaspiro[2.4]heptan-5-yl)-4-methylcyclohexan-1-ol
CID 165497273
2-propylcyclohexane-1,4-diol
CID 89257932
1-(5-hydroxy-2-propylcyclohexyl)-4-methylpyridin-2-one
CID 165492200
3,4-dibutylcyclohexan-1-ol
CID 71347162
4-methoxy-3-propylcyclohexan-1-ol
CID 142147619
3-(2,2-dimethylmorpholin-4-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol
CID 165497496
3,3-dimethyl-1-(4-methylpyrrolidin-3-yl)pyrrolidine
CID 81460841
1-[2-(4,4-dimethylpiperidin-1-yl)cyclobutyl]-N-methylmethanamine
CID 80999261
(1S,2S,7S,8S)-7-propyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2-diol
CID 71763389

Frequently Asked Questions

What is the IUPAC name of 3-(3,3-dimethylpyrrolidin-1-yl)-4-propylcyclohexan-1-ol?
The IUPAC name of 3-(3,3-dimethylpyrrolidin-1-yl)-4-propylcyclohexan-1-ol (CID 165497907) is 3-(3,3-dimethylpyrrolidin-1-yl)-4-propylcyclohexan-1-ol.
What is the SMILES notation for 3-(3,3-dimethylpyrrolidin-1-yl)-4-propylcyclohexan-1-ol?
The canonical SMILES for 3-(3,3-dimethylpyrrolidin-1-yl)-4-propylcyclohexan-1-ol is CCCC1CCC(O)CC1N1CCC(C)(C)C1.
What is the InChIKey of 3-(3,3-dimethylpyrrolidin-1-yl)-4-propylcyclohexan-1-ol?
The InChIKey is CQAFAKVXQSQHAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-4-5-12-6-7-13(17)10-14(12)16-9-8-15(2,3)11-16/h12-14,17H,4-11H2,1-3H3.
What are the key properties of 3-(3,3-dimethylpyrrolidin-1-yl)-4-propylcyclohexan-1-ol?
3-(3,3-dimethylpyrrolidin-1-yl)-4-propylcyclohexan-1-ol has a molecular weight of 239.40 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-dimethylpyrrolidin-1-yl)-4-propylcyclohexan-1-ol is sourced from PubChem (CID 165497907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).