2-[1-(3,4-dimethylcyclohexyl)pyrrolidin-3-yl]ethanol

C14H27NO — CID 114799777

IUPAC2-[1-(3,4-dimethylcyclohexyl)pyrrolidin-3-yl]ethanol
SMILESCC1CCC(N2CCC(CCO)C2)CC1C
InChIInChI=1S/C14H27NO/c1-11-3-4-14(9-12(11)2)15-7-5-13(10-15)6-8-16/h11-14,16H,3-10H2,1-2H3
InChIKeyNRIBHWPTZYADKQ-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.52
Rot. Bonds3

About 2-[1-(3,4-dimethylcyclohexyl)pyrrolidin-3-yl]ethanol

2-[1-(3,4-dimethylcyclohexyl)pyrrolidin-3-yl]ethanol (PubChem CID 114799777) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 2-[1-(3,4-dimethylcyclohexyl)pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-(3,4-dimethylcyclohexyl)pyrrolidin-3-yl]ethanol
PubChem CID114799777
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name2-[1-(3,4-dimethylcyclohexyl)pyrrolidin-3-yl]ethanol
SMILESCC1CCC(N2CCC(CCO)C2)CC1C
InChIInChI=1S/C14H27NO/c1-11-3-4-14(9-12(11)2)15-7-5-13(10-15)6-8-16/h11-14,16H,3-10H2,1-2H3
InChIKeyNRIBHWPTZYADKQ-UHFFFAOYSA-N
XLogP2.52
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,4-dimethylcyclohexyl)pyrrolidin-3-yl]ethanol?
The IUPAC name of 2-[1-(3,4-dimethylcyclohexyl)pyrrolidin-3-yl]ethanol (CID 114799777) is 2-[1-(3,4-dimethylcyclohexyl)pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-(3,4-dimethylcyclohexyl)pyrrolidin-3-yl]ethanol?
The canonical SMILES for 2-[1-(3,4-dimethylcyclohexyl)pyrrolidin-3-yl]ethanol is CC1CCC(N2CCC(CCO)C2)CC1C.
What is the InChIKey of 2-[1-(3,4-dimethylcyclohexyl)pyrrolidin-3-yl]ethanol?
The InChIKey is NRIBHWPTZYADKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-11-3-4-14(9-12(11)2)15-7-5-13(10-15)6-8-16/h11-14,16H,3-10H2,1-2H3.
What are the key properties of 2-[1-(3,4-dimethylcyclohexyl)pyrrolidin-3-yl]ethanol?
2-[1-(3,4-dimethylcyclohexyl)pyrrolidin-3-yl]ethanol has a molecular weight of 225.38 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,4-dimethylcyclohexyl)pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 114799777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).