4-tert-butyl-2-[(2-methylpyrrolidin-1-yl)methyl]cyclohexan-1-ol

C16H31NO — CID 55094860

IUPAC4-tert-butyl-2-[(2-methylpyrrolidin-1-yl)methyl]cyclohexan-1-ol
SMILESCC1CCCN1CC1CC(C(C)(C)C)CCC1O
InChIInChI=1S/C16H31NO/c1-12-6-5-9-17(12)11-13-10-14(16(2,3)4)7-8-15(13)18/h12-15,18H,5-11H2,1-4H3
InChIKeyVTQWIBOIVOFSGF-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.29
Rot. Bonds2

About 4-tert-butyl-2-[(2-methylpyrrolidin-1-yl)methyl]cyclohexan-1-ol

4-tert-butyl-2-[(2-methylpyrrolidin-1-yl)methyl]cyclohexan-1-ol (PubChem CID 55094860) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is 4-tert-butyl-2-[(2-methylpyrrolidin-1-yl)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-tert-butyl-2-[(2-methylpyrrolidin-1-yl)methyl]cyclohexan-1-ol
PubChem CID55094860
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name4-tert-butyl-2-[(2-methylpyrrolidin-1-yl)methyl]cyclohexan-1-ol
SMILESCC1CCCN1CC1CC(C(C)(C)C)CCC1O
InChIInChI=1S/C16H31NO/c1-12-6-5-9-17(12)11-13-10-14(16(2,3)4)7-8-15(13)18/h12-15,18H,5-11H2,1-4H3
InChIKeyVTQWIBOIVOFSGF-UHFFFAOYSA-N
XLogP3.29
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-2-[(2-methylpyrrolidin-1-yl)methyl]cyclohexan-1-ol
CID 62610048
2-[(2-methylpyrrolidin-1-yl)methyl]-4-propylcyclohexan-1-ol
CID 62610219
4-tert-butyl-2-(thiomorpholin-4-ylmethyl)cyclohexan-1-ol
CID 62609534
4-tert-butyl-2-[(2,3,5-trimethylpiperidin-1-yl)methyl]cyclohexan-1-ol
CID 114596852
4-tert-butyl-2-[(4-methyl-1,4-diazepan-1-yl)methyl]cyclohexan-1-ol
CID 62610754
2-[(2-methylazetidin-1-yl)methyl]cyclopentan-1-ol
CID 104550145
4-tert-butyl-2-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]cyclohexan-1-ol
CID 102936492
4-tert-butyl-2-(furan-3-ylmethyl)cyclohexan-1-ol
CID 83183283
4-tert-butyl-2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-amine
CID 102886488
1-[4-[(1S,2S)-2-[[(2R)-2-methylpyrrolidin-1-yl]methyl]cyclopropyl]phenyl]piperidine
CID 67054638
2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-4-methylcyclohexan-1-ol
CID 55128147
(2R)-1-[[(1R,2R)-2-(4-bromophenyl)cyclopropyl]methyl]-2-methylpyrrolidine
CID 69230539

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[(2-methylpyrrolidin-1-yl)methyl]cyclohexan-1-ol?
The IUPAC name of 4-tert-butyl-2-[(2-methylpyrrolidin-1-yl)methyl]cyclohexan-1-ol (CID 55094860) is 4-tert-butyl-2-[(2-methylpyrrolidin-1-yl)methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-tert-butyl-2-[(2-methylpyrrolidin-1-yl)methyl]cyclohexan-1-ol?
The canonical SMILES for 4-tert-butyl-2-[(2-methylpyrrolidin-1-yl)methyl]cyclohexan-1-ol is CC1CCCN1CC1CC(C(C)(C)C)CCC1O.
What is the InChIKey of 4-tert-butyl-2-[(2-methylpyrrolidin-1-yl)methyl]cyclohexan-1-ol?
The InChIKey is VTQWIBOIVOFSGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-12-6-5-9-17(12)11-13-10-14(16(2,3)4)7-8-15(13)18/h12-15,18H,5-11H2,1-4H3.
What are the key properties of 4-tert-butyl-2-[(2-methylpyrrolidin-1-yl)methyl]cyclohexan-1-ol?
4-tert-butyl-2-[(2-methylpyrrolidin-1-yl)methyl]cyclohexan-1-ol has a molecular weight of 253.43 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-[(2-methylpyrrolidin-1-yl)methyl]cyclohexan-1-ol is sourced from PubChem (CID 55094860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).