1-[4-(aminomethyl)oxan-4-yl]-3,5-dimethylcyclohexan-1-ol

C14H27NO2 — CID 79124414

IUPAC1-[4-(aminomethyl)oxan-4-yl]-3,5-dimethylcyclohexan-1-ol
SMILESCC1CC(C)CC(O)(C2(CN)CCOCC2)C1
InChIInChI=1S/C14H27NO2/c1-11-7-12(2)9-14(16,8-11)13(10-15)3-5-17-6-4-13/h11-12,16H,3-10,15H2,1-2H3
InChIKeyYXEPAHQJCIIXTG-UHFFFAOYSA-N
MW241.37 g/mol
LogP1.93
Rot. Bonds2

About 1-[4-(aminomethyl)oxan-4-yl]-3,5-dimethylcyclohexan-1-ol

1-[4-(aminomethyl)oxan-4-yl]-3,5-dimethylcyclohexan-1-ol (PubChem CID 79124414) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 1-[4-(aminomethyl)oxan-4-yl]-3,5-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[4-(aminomethyl)oxan-4-yl]-3,5-dimethylcyclohexan-1-ol
PubChem CID79124414
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name1-[4-(aminomethyl)oxan-4-yl]-3,5-dimethylcyclohexan-1-ol
SMILESCC1CC(C)CC(O)(C2(CN)CCOCC2)C1
InChIInChI=1S/C14H27NO2/c1-11-7-12(2)9-14(16,8-11)13(10-15)3-5-17-6-4-13/h11-12,16H,3-10,15H2,1-2H3
InChIKeyYXEPAHQJCIIXTG-UHFFFAOYSA-N
XLogP1.93
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(aminomethyl)oxan-4-yl]oxan-4-ol
CID 79136047
1-[1-(aminomethyl)-4-propylcyclohexyl]-3,5-dimethylcyclohexan-1-ol
CID 79123452
3-[4-(aminomethyl)oxan-4-yl]oxolan-3-ol
CID 79135319
1-[3-(aminomethyl)oxolan-3-yl]-3,3,5-trimethylcyclohexan-1-ol
CID 79128824
4-[4-(aminomethyl)oxan-4-yl]-2-propyloxan-4-ol
CID 79125186
4-[1-(aminomethyl)cyclohexyl]oxan-4-ol
CID 79135136
1-[1-(aminomethyl)cyclobutyl]-3-methylcyclopentan-1-ol
CID 79124196
3-[4-(aminomethyl)oxan-4-yl]oxan-3-ol
CID 79125192
1-[4-(aminomethyl)oxan-4-yl]-2,2-dimethylcyclopentan-1-ol
CID 79863221
4-[1-(aminomethyl)-4-propylcyclohexyl]oxan-4-ol
CID 79135491
1-[1-(aminomethyl)-3-ethylcyclopentyl]-3-methylcyclobutan-1-ol
CID 103565588
4-[1-(aminomethyl)-3-methylcyclopentyl]-1-methylpiperidin-4-ol
CID 79135647

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)oxan-4-yl]-3,5-dimethylcyclohexan-1-ol?
The IUPAC name of 1-[4-(aminomethyl)oxan-4-yl]-3,5-dimethylcyclohexan-1-ol (CID 79124414) is 1-[4-(aminomethyl)oxan-4-yl]-3,5-dimethylcyclohexan-1-ol.
What is the SMILES notation for 1-[4-(aminomethyl)oxan-4-yl]-3,5-dimethylcyclohexan-1-ol?
The canonical SMILES for 1-[4-(aminomethyl)oxan-4-yl]-3,5-dimethylcyclohexan-1-ol is CC1CC(C)CC(O)(C2(CN)CCOCC2)C1.
What is the InChIKey of 1-[4-(aminomethyl)oxan-4-yl]-3,5-dimethylcyclohexan-1-ol?
The InChIKey is YXEPAHQJCIIXTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-11-7-12(2)9-14(16,8-11)13(10-15)3-5-17-6-4-13/h11-12,16H,3-10,15H2,1-2H3.
What are the key properties of 1-[4-(aminomethyl)oxan-4-yl]-3,5-dimethylcyclohexan-1-ol?
1-[4-(aminomethyl)oxan-4-yl]-3,5-dimethylcyclohexan-1-ol has a molecular weight of 241.37 g/mol, XLogP of 1.93, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)oxan-4-yl]-3,5-dimethylcyclohexan-1-ol is sourced from PubChem (CID 79124414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).