[1-[[(2,4,4-trimethylcyclohexyl)amino]methyl]cyclohexyl]methanol

C17H33NO — CID 103966009

IUPAC[1-[[(2,4,4-trimethylcyclohexyl)amino]methyl]cyclohexyl]methanol
SMILESCC1CC(C)(C)CCC1NCC1(CO)CCCCC1
InChIInChI=1S/C17H33NO/c1-14-11-16(2,3)10-7-15(14)18-12-17(13-19)8-5-4-6-9-17/h14-15,18-19H,4-13H2,1-3H3
InChIKeyBLCFSVXUCDDWNI-UHFFFAOYSA-N
MW267.46 g/mol
LogP3.73
Rot. Bonds4

About [1-[[(2,4,4-trimethylcyclohexyl)amino]methyl]cyclohexyl]methanol

[1-[[(2,4,4-trimethylcyclohexyl)amino]methyl]cyclohexyl]methanol (PubChem CID 103966009) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is [1-[[(2,4,4-trimethylcyclohexyl)amino]methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[[(2,4,4-trimethylcyclohexyl)amino]methyl]cyclohexyl]methanol
PubChem CID103966009
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC Name[1-[[(2,4,4-trimethylcyclohexyl)amino]methyl]cyclohexyl]methanol
SMILESCC1CC(C)(C)CCC1NCC1(CO)CCCCC1
InChIInChI=1S/C17H33NO/c1-14-11-16(2,3)10-7-15(14)18-12-17(13-19)8-5-4-6-9-17/h14-15,18-19H,4-13H2,1-3H3
InChIKeyBLCFSVXUCDDWNI-UHFFFAOYSA-N
XLogP3.73
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [1-[[(2,4,4-trimethylcyclohexyl)amino]methyl]cyclohexyl]methanol with MolForge

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Related Compounds

[1-[[(3,3-dimethylcyclohexyl)amino]methyl]cyclohexyl]methanol
CID 81435372
trans-(1S,2S)-2-[[1-(hydroxymethyl)cyclohexyl]methylamino]cyclopentan-1-ol
CID 102733972
N-(cyclopentylmethyl)-2,4,4-trimethylcyclohexan-1-amine
CID 81321267
[1-[[(2-ethylcyclohexyl)amino]methyl]cyclohexyl]methanol
CID 81412676
2,4,4-trimethyl-N-propylcyclohexan-1-amine
CID 81308091
N-(cyclopropylmethyl)-2,4,4-trimethylcyclohexan-1-amine
CID 79670640
trans-(1S,2S)-2-[[1-(hydroxymethyl)cyclopentyl]methylamino]cyclopentan-1-ol
CID 102733880
N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2,4,4-trimethylcyclohexan-1-amine
CID 81302881
[1-[[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]cyclohexyl]methanol
CID 81418548
[1-[[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]cyclohexyl]methanol
CID 81412425
(2S)-2-[(2,4,4-trimethylcyclohexyl)amino]propan-1-ol
CID 103789174
tert-butyl N-[2-[[1-(hydroxymethyl)cyclohexyl]methylamino]cyclopentyl]carbamate
CID 104844803

Frequently Asked Questions

What is the IUPAC name of [1-[[(2,4,4-trimethylcyclohexyl)amino]methyl]cyclohexyl]methanol?
The IUPAC name of [1-[[(2,4,4-trimethylcyclohexyl)amino]methyl]cyclohexyl]methanol (CID 103966009) is [1-[[(2,4,4-trimethylcyclohexyl)amino]methyl]cyclohexyl]methanol.
What is the SMILES notation for [1-[[(2,4,4-trimethylcyclohexyl)amino]methyl]cyclohexyl]methanol?
The canonical SMILES for [1-[[(2,4,4-trimethylcyclohexyl)amino]methyl]cyclohexyl]methanol is CC1CC(C)(C)CCC1NCC1(CO)CCCCC1.
What is the InChIKey of [1-[[(2,4,4-trimethylcyclohexyl)amino]methyl]cyclohexyl]methanol?
The InChIKey is BLCFSVXUCDDWNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO/c1-14-11-16(2,3)10-7-15(14)18-12-17(13-19)8-5-4-6-9-17/h14-15,18-19H,4-13H2,1-3H3.
What are the key properties of [1-[[(2,4,4-trimethylcyclohexyl)amino]methyl]cyclohexyl]methanol?
[1-[[(2,4,4-trimethylcyclohexyl)amino]methyl]cyclohexyl]methanol has a molecular weight of 267.46 g/mol, XLogP of 3.73, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[(2,4,4-trimethylcyclohexyl)amino]methyl]cyclohexyl]methanol is sourced from PubChem (CID 103966009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).