3-(3,3-dimethylpyrrolidin-1-yl)-4-propan-2-ylcyclohexan-1-ol

C15H29NO — CID 165490868

IUPAC3-(3,3-dimethylpyrrolidin-1-yl)-4-propan-2-ylcyclohexan-1-ol
SMILESCC(C)C1CCC(O)CC1N1CCC(C)(C)C1
InChIInChI=1S/C15H29NO/c1-11(2)13-6-5-12(17)9-14(13)16-8-7-15(3,4)10-16/h11-14,17H,5-10H2,1-4H3
InChIKeyYORRABFKROSIHB-UHFFFAOYSA-N
MW239.40 g/mol
LogP2.90
Rot. Bonds2

About 3-(3,3-dimethylpyrrolidin-1-yl)-4-propan-2-ylcyclohexan-1-ol

3-(3,3-dimethylpyrrolidin-1-yl)-4-propan-2-ylcyclohexan-1-ol (PubChem CID 165490868) 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-propan-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name3-(3,3-dimethylpyrrolidin-1-yl)-4-propan-2-ylcyclohexan-1-ol
PubChem CID165490868
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name3-(3,3-dimethylpyrrolidin-1-yl)-4-propan-2-ylcyclohexan-1-ol
SMILESCC(C)C1CCC(O)CC1N1CCC(C)(C)C1
InChIInChI=1S/C15H29NO/c1-11(2)13-6-5-12(17)9-14(13)16-8-7-15(3,4)10-16/h11-14,17H,5-10H2,1-4H3
InChIKeyYORRABFKROSIHB-UHFFFAOYSA-N
XLogP2.90
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3,3-dimethylpyrrolidin-1-yl)-4-propan-2-ylcyclohexan-1-ol?
The IUPAC name of 3-(3,3-dimethylpyrrolidin-1-yl)-4-propan-2-ylcyclohexan-1-ol (CID 165490868) is 3-(3,3-dimethylpyrrolidin-1-yl)-4-propan-2-ylcyclohexan-1-ol.
What is the SMILES notation for 3-(3,3-dimethylpyrrolidin-1-yl)-4-propan-2-ylcyclohexan-1-ol?
The canonical SMILES for 3-(3,3-dimethylpyrrolidin-1-yl)-4-propan-2-ylcyclohexan-1-ol is CC(C)C1CCC(O)CC1N1CCC(C)(C)C1.
What is the InChIKey of 3-(3,3-dimethylpyrrolidin-1-yl)-4-propan-2-ylcyclohexan-1-ol?
The InChIKey is YORRABFKROSIHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-11(2)13-6-5-12(17)9-14(13)16-8-7-15(3,4)10-16/h11-14,17H,5-10H2,1-4H3.
What are the key properties of 3-(3,3-dimethylpyrrolidin-1-yl)-4-propan-2-ylcyclohexan-1-ol?
3-(3,3-dimethylpyrrolidin-1-yl)-4-propan-2-ylcyclohexan-1-ol has a molecular weight of 239.40 g/mol, XLogP of 2.90, 2 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-propan-2-ylcyclohexan-1-ol is sourced from PubChem (CID 165490868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).