3-[1-(aminomethyl)-3-ethylcyclohexyl]oxolan-3-ol

C13H25NO2 — CID 79135585

IUPAC3-[1-(aminomethyl)-3-ethylcyclohexyl]oxolan-3-ol
SMILESCCC1CCCC(CN)(C2(O)CCOC2)C1
InChIInChI=1S/C13H25NO2/c1-2-11-4-3-5-12(8-11,9-14)13(15)6-7-16-10-13/h11,15H,2-10,14H2,1H3
InChIKeyPUQTYWVXDANMBW-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.68
Rot. Bonds3

About 3-[1-(aminomethyl)-3-ethylcyclohexyl]oxolan-3-ol

3-[1-(aminomethyl)-3-ethylcyclohexyl]oxolan-3-ol (PubChem CID 79135585) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 3-[1-(aminomethyl)-3-ethylcyclohexyl]oxolan-3-ol.

Molecular Properties

Compound Name3-[1-(aminomethyl)-3-ethylcyclohexyl]oxolan-3-ol
PubChem CID79135585
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name3-[1-(aminomethyl)-3-ethylcyclohexyl]oxolan-3-ol
SMILESCCC1CCCC(CN)(C2(O)CCOC2)C1
InChIInChI=1S/C13H25NO2/c1-2-11-4-3-5-12(8-11,9-14)13(15)6-7-16-10-13/h11,15H,2-10,14H2,1H3
InChIKeyPUQTYWVXDANMBW-UHFFFAOYSA-N
XLogP1.68
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(aminomethyl)-3-ethylcyclohexyl]cyclohexan-1-ol
CID 79127098
4-[1-(aminomethyl)-3-ethylcyclohexyl]-2-propan-2-yloxan-4-ol
CID 79125368
1-[1-(aminomethyl)-3-ethylcyclopentyl]-3-ethylcyclohexan-1-ol
CID 79124179
1-[1-(aminomethyl)-3-ethylcyclopentyl]-3-methylcyclobutan-1-ol
CID 103565588
4-[1-(aminomethyl)-3-ethylcyclopentyl]-2-ethyl-2-methyloxan-4-ol
CID 79126212
3-[4-(aminomethyl)oxan-4-yl]oxolan-3-ol
CID 79135319
1-[1-(aminomethyl)-3-ethylcyclopentyl]-3-methylcyclopentan-1-ol
CID 79126426
1-[1-(aminomethyl)-3-ethylcyclopentyl]-4-methylcycloheptan-1-ol
CID 79124842
1-[1-(aminomethyl)-3-ethylcyclohexyl]-2,5-dimethylcyclohexan-1-ol
CID 79125926
1-[1-(aminomethyl)cycloheptyl]-4-ethylcycloheptan-1-ol
CID 79124222
1-[1-(aminomethyl)-3-ethylcyclopentyl]-3,3-dimethylcyclohexan-1-ol
CID 79125562
1-[1-(aminomethyl)-3-ethylcyclohexyl]-2-methoxycyclohexan-1-ol
CID 106874852

Frequently Asked Questions

What is the IUPAC name of 3-[1-(aminomethyl)-3-ethylcyclohexyl]oxolan-3-ol?
The IUPAC name of 3-[1-(aminomethyl)-3-ethylcyclohexyl]oxolan-3-ol (CID 79135585) is 3-[1-(aminomethyl)-3-ethylcyclohexyl]oxolan-3-ol.
What is the SMILES notation for 3-[1-(aminomethyl)-3-ethylcyclohexyl]oxolan-3-ol?
The canonical SMILES for 3-[1-(aminomethyl)-3-ethylcyclohexyl]oxolan-3-ol is CCC1CCCC(CN)(C2(O)CCOC2)C1.
What is the InChIKey of 3-[1-(aminomethyl)-3-ethylcyclohexyl]oxolan-3-ol?
The InChIKey is PUQTYWVXDANMBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-2-11-4-3-5-12(8-11,9-14)13(15)6-7-16-10-13/h11,15H,2-10,14H2,1H3.
What are the key properties of 3-[1-(aminomethyl)-3-ethylcyclohexyl]oxolan-3-ol?
3-[1-(aminomethyl)-3-ethylcyclohexyl]oxolan-3-ol has a molecular weight of 227.35 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(aminomethyl)-3-ethylcyclohexyl]oxolan-3-ol is sourced from PubChem (CID 79135585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).