2-[1-(aminomethyl)-4,4-dimethylcyclohexyl]oxycyclohexan-1-ol

C15H29NO2 — CID 114266660

IUPAC2-[1-(aminomethyl)-4,4-dimethylcyclohexyl]oxycyclohexan-1-ol
SMILESCC1(C)CCC(CN)(OC2CCCCC2O)CC1
InChIInChI=1S/C15H29NO2/c1-14(2)7-9-15(11-16,10-8-14)18-13-6-4-3-5-12(13)17/h12-13,17H,3-11,16H2,1-2H3
InChIKeyGEZQUXOXCWWCBA-UHFFFAOYSA-N
MW255.40 g/mol
LogP2.60
Rot. Bonds3

About 2-[1-(aminomethyl)-4,4-dimethylcyclohexyl]oxycyclohexan-1-ol

2-[1-(aminomethyl)-4,4-dimethylcyclohexyl]oxycyclohexan-1-ol (PubChem CID 114266660) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 2-[1-(aminomethyl)-4,4-dimethylcyclohexyl]oxycyclohexan-1-ol.

Molecular Properties

Compound Name2-[1-(aminomethyl)-4,4-dimethylcyclohexyl]oxycyclohexan-1-ol
PubChem CID114266660
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name2-[1-(aminomethyl)-4,4-dimethylcyclohexyl]oxycyclohexan-1-ol
SMILESCC1(C)CCC(CN)(OC2CCCCC2O)CC1
InChIInChI=1S/C15H29NO2/c1-14(2)7-9-15(11-16,10-8-14)18-13-6-4-3-5-12(13)17/h12-13,17H,3-11,16H2,1-2H3
InChIKeyGEZQUXOXCWWCBA-UHFFFAOYSA-N
XLogP2.60
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[1-(aminomethyl)-4,4-dimethylcyclohexyl]oxycyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[1-(aminomethyl)-4,4-dimethylcyclohexyl]oxyoxolan-3-ol
CID 114266661
[4,4-dimethyl-1-(oxolan-2-ylmethoxy)cyclohexyl]methanamine
CID 65050953
2-[(8,8-dimethyl-1-oxaspiro[4.5]decan-2-yl)oxy]cyclohexan-1-ol
CID 169171951
2-[1-(aminomethyl)cyclopropyl]cyclohexan-1-ol
CID 130515240
(2S)-2-methoxycyclohexan-1-ol
CID 11105391
[4,4-dimethyl-1-(oxan-4-ylmethoxy)cyclohexyl]methanamine
CID 65052287
2-[(1-aminocyclohexyl)methoxy]cycloheptan-1-ol
CID 106940021
2-[[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]methoxy]cyclohexan-1-ol
CID 101328407
2-[2-(aminomethyl)cyclopentyl]oxycyclopentan-1-ol
CID 106940210
trans-(1S,2S)-2-[(1S,2S)-2-fluorocyclohexyl]oxycyclohexan-1-ol
CID 119031147
2-ethoxycyclooctan-1-ol
CID 18953000
3-[1-(aminomethyl)-4,4-dimethylcyclohexyl]oxypropanoic acid
CID 65052245

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)-4,4-dimethylcyclohexyl]oxycyclohexan-1-ol?
The IUPAC name of 2-[1-(aminomethyl)-4,4-dimethylcyclohexyl]oxycyclohexan-1-ol (CID 114266660) is 2-[1-(aminomethyl)-4,4-dimethylcyclohexyl]oxycyclohexan-1-ol.
What is the SMILES notation for 2-[1-(aminomethyl)-4,4-dimethylcyclohexyl]oxycyclohexan-1-ol?
The canonical SMILES for 2-[1-(aminomethyl)-4,4-dimethylcyclohexyl]oxycyclohexan-1-ol is CC1(C)CCC(CN)(OC2CCCCC2O)CC1.
What is the InChIKey of 2-[1-(aminomethyl)-4,4-dimethylcyclohexyl]oxycyclohexan-1-ol?
The InChIKey is GEZQUXOXCWWCBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-14(2)7-9-15(11-16,10-8-14)18-13-6-4-3-5-12(13)17/h12-13,17H,3-11,16H2,1-2H3.
What are the key properties of 2-[1-(aminomethyl)-4,4-dimethylcyclohexyl]oxycyclohexan-1-ol?
2-[1-(aminomethyl)-4,4-dimethylcyclohexyl]oxycyclohexan-1-ol has a molecular weight of 255.40 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)-4,4-dimethylcyclohexyl]oxycyclohexan-1-ol is sourced from PubChem (CID 114266660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).