1-[1-[(3-methylcyclohexyl)methyl]pyrrolidin-3-yl]ethanol

C14H27NO — CID 110019671

IUPAC1-[1-[(3-methylcyclohexyl)methyl]pyrrolidin-3-yl]ethanol
SMILESCC1CCCC(CN2CCC(C(C)O)C2)C1
InChIInChI=1S/C14H27NO/c1-11-4-3-5-13(8-11)9-15-7-6-14(10-15)12(2)16/h11-14,16H,3-10H2,1-2H3
InChIKeyFRKSCYFHXXIXIM-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.52
Rot. Bonds3

About 1-[1-[(3-methylcyclohexyl)methyl]pyrrolidin-3-yl]ethanol

1-[1-[(3-methylcyclohexyl)methyl]pyrrolidin-3-yl]ethanol (PubChem CID 110019671) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 1-[1-[(3-methylcyclohexyl)methyl]pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name1-[1-[(3-methylcyclohexyl)methyl]pyrrolidin-3-yl]ethanol
PubChem CID110019671
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name1-[1-[(3-methylcyclohexyl)methyl]pyrrolidin-3-yl]ethanol
SMILESCC1CCCC(CN2CCC(C(C)O)C2)C1
InChIInChI=1S/C14H27NO/c1-11-4-3-5-13(8-11)9-15-7-6-14(10-15)12(2)16/h11-14,16H,3-10H2,1-2H3
InChIKeyFRKSCYFHXXIXIM-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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Related Compounds

1-[1-[(3-methylcyclohexyl)methyl]pyrrolidin-3-yl]ethanamine;hydrochloride
CID 120843314
[1-[(3-methylcyclohexyl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 120837602
2-[[3-(1-hydroxyethyl)pyrrolidin-1-yl]methyl]cyclopentan-1-ol
CID 112629260
N-methyl-1-[(3-methylcyclohexyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 120834026
(3R)-1-[(3-methylcyclohexyl)methyl]piperidin-3-amine;hydrochloride
CID 120845899
1-[1-(2-piperidin-1-ylethyl)pyrrolidin-3-yl]ethanol
CID 112628491
3-[(3-methylpyrrolidin-1-yl)methyl]cyclohexan-1-amine
CID 63046292
4-ethyl-2-[[3-(1-hydroxyethyl)pyrrolidin-1-yl]methyl]cyclohexan-1-one
CID 112628882
1-[1-[[2-(methylamino)cyclohexyl]methyl]pyrrolidin-3-yl]ethanol
CID 112629144
1-(cyclobutylmethyl)-4-propan-2-ylpiperidine;ethane
CID 170608342
1-[1-[[2,4-dimethyl-6-(propylamino)cyclohexyl]methyl]pyrrolidin-3-yl]ethanol
CID 115967290
3-bromo-4-methyl-1-[(3-methylcyclohexyl)methyl]pyrrolidine
CID 130909248

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3-methylcyclohexyl)methyl]pyrrolidin-3-yl]ethanol?
The IUPAC name of 1-[1-[(3-methylcyclohexyl)methyl]pyrrolidin-3-yl]ethanol (CID 110019671) is 1-[1-[(3-methylcyclohexyl)methyl]pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 1-[1-[(3-methylcyclohexyl)methyl]pyrrolidin-3-yl]ethanol?
The canonical SMILES for 1-[1-[(3-methylcyclohexyl)methyl]pyrrolidin-3-yl]ethanol is CC1CCCC(CN2CCC(C(C)O)C2)C1.
What is the InChIKey of 1-[1-[(3-methylcyclohexyl)methyl]pyrrolidin-3-yl]ethanol?
The InChIKey is FRKSCYFHXXIXIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-11-4-3-5-13(8-11)9-15-7-6-14(10-15)12(2)16/h11-14,16H,3-10H2,1-2H3.
What are the key properties of 1-[1-[(3-methylcyclohexyl)methyl]pyrrolidin-3-yl]ethanol?
1-[1-[(3-methylcyclohexyl)methyl]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 1-[1-[(3-methylcyclohexyl)methyl]pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 110019671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).