[1-(cyclopentylamino)-3,3,5-trimethylcyclohexyl]methanol

C15H29NO — CID 61055766

IUPAC[1-(cyclopentylamino)-3,3,5-trimethylcyclohexyl]methanol
SMILESCC1CC(C)(C)CC(CO)(NC2CCCC2)C1
InChIInChI=1S/C15H29NO/c1-12-8-14(2,3)10-15(9-12,11-17)16-13-6-4-5-7-13/h12-13,16-17H,4-11H2,1-3H3
InChIKeyMLXFLRGLUKHIDE-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.10
Rot. Bonds3

About [1-(cyclopentylamino)-3,3,5-trimethylcyclohexyl]methanol

[1-(cyclopentylamino)-3,3,5-trimethylcyclohexyl]methanol (PubChem CID 61055766) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is [1-(cyclopentylamino)-3,3,5-trimethylcyclohexyl]methanol.

Molecular Properties

Compound Name[1-(cyclopentylamino)-3,3,5-trimethylcyclohexyl]methanol
PubChem CID61055766
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name[1-(cyclopentylamino)-3,3,5-trimethylcyclohexyl]methanol
SMILESCC1CC(C)(C)CC(CO)(NC2CCCC2)C1
InChIInChI=1S/C15H29NO/c1-12-8-14(2,3)10-15(9-12,11-17)16-13-6-4-5-7-13/h12-13,16-17H,4-11H2,1-3H3
InChIKeyMLXFLRGLUKHIDE-UHFFFAOYSA-N
XLogP3.10
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aminomethyl)-N-cyclopropyl-3,3,5-trimethylcyclohexan-1-amine
CID 62071894
[1-(ethylamino)-3,3,5-trimethylcyclohexyl]methanol
CID 61050703
1-(cyclohexylamino)-3,3,5-trimethylcyclohexane-1-carboxylic acid
CID 60998427
3-[[(1S,5R)-1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]amino]propan-1-ol
CID 97022779
1-cyclopropyl-3-[(1R,5R)-1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]urea
CID 95784243
[1-(cyclopropylamino)-3,3-dimethylcyclopentyl]methanol
CID 80699830
[1-(cyclohexylamino)-3,4-dimethylcyclohexyl]methanol
CID 64745681
N-[1-(aminomethyl)-3,3-dimethylcyclobutyl]cyclopentanamine
CID 130847292
[1-(cyclopentylamino)cyclododecyl]methanol
CID 63428229
[1-(3-methoxypropylamino)-3,3,5-trimethylcyclohexyl]methanol
CID 111757450
1-(cycloheptylamino)-3,3,5-trimethylcyclohexane-1-carbonitrile
CID 63467066
3-[[1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]amino]-N-methylpropanamide
CID 111757470

Frequently Asked Questions

What is the IUPAC name of [1-(cyclopentylamino)-3,3,5-trimethylcyclohexyl]methanol?
The IUPAC name of [1-(cyclopentylamino)-3,3,5-trimethylcyclohexyl]methanol (CID 61055766) is [1-(cyclopentylamino)-3,3,5-trimethylcyclohexyl]methanol.
What is the SMILES notation for [1-(cyclopentylamino)-3,3,5-trimethylcyclohexyl]methanol?
The canonical SMILES for [1-(cyclopentylamino)-3,3,5-trimethylcyclohexyl]methanol is CC1CC(C)(C)CC(CO)(NC2CCCC2)C1.
What is the InChIKey of [1-(cyclopentylamino)-3,3,5-trimethylcyclohexyl]methanol?
The InChIKey is MLXFLRGLUKHIDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-12-8-14(2,3)10-15(9-12,11-17)16-13-6-4-5-7-13/h12-13,16-17H,4-11H2,1-3H3.
What are the key properties of [1-(cyclopentylamino)-3,3,5-trimethylcyclohexyl]methanol?
[1-(cyclopentylamino)-3,3,5-trimethylcyclohexyl]methanol has a molecular weight of 239.40 g/mol, XLogP of 3.10, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclopentylamino)-3,3,5-trimethylcyclohexyl]methanol is sourced from PubChem (CID 61055766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).