1-[3-(aminomethyl)oxolan-3-yl]-2,3-dimethylcyclohexan-1-ol

C13H25NO2 — CID 79125923

IUPAC1-[3-(aminomethyl)oxolan-3-yl]-2,3-dimethylcyclohexan-1-ol
SMILESCC1CCCC(O)(C2(CN)CCOC2)C1C
InChIInChI=1S/C13H25NO2/c1-10-4-3-5-13(15,11(10)2)12(8-14)6-7-16-9-12/h10-11,15H,3-9,14H2,1-2H3
InChIKeyWLKBMWRUUVFGAM-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.54
Rot. Bonds2

About 1-[3-(aminomethyl)oxolan-3-yl]-2,3-dimethylcyclohexan-1-ol

1-[3-(aminomethyl)oxolan-3-yl]-2,3-dimethylcyclohexan-1-ol (PubChem CID 79125923) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 1-[3-(aminomethyl)oxolan-3-yl]-2,3-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[3-(aminomethyl)oxolan-3-yl]-2,3-dimethylcyclohexan-1-ol
PubChem CID79125923
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name1-[3-(aminomethyl)oxolan-3-yl]-2,3-dimethylcyclohexan-1-ol
SMILESCC1CCCC(O)(C2(CN)CCOC2)C1C
InChIInChI=1S/C13H25NO2/c1-10-4-3-5-13(15,11(10)2)12(8-14)6-7-16-9-12/h10-11,15H,3-9,14H2,1-2H3
InChIKeyWLKBMWRUUVFGAM-UHFFFAOYSA-N
XLogP1.54
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(aminomethyl)cyclobutyl]-2,3-dimethylcyclohexan-1-ol
CID 79123457
1-[1-(aminomethyl)-4,4-dimethylcyclohexyl]-2,3-dimethylcyclohexan-1-ol
CID 79124822
3-[3-(aminomethyl)oxolan-3-yl]-2-methyloxolan-3-ol
CID 82721047
1-[3-(aminomethyl)oxolan-3-yl]-3-methoxycyclohexan-1-ol
CID 106874866
1-[3-(aminomethyl)oxolan-3-yl]-2,2-dimethylcyclohexan-1-ol
CID 79852618
[1-(3,3-dimethylmorpholin-4-yl)-2,3-dimethylcyclohexyl]methanamine
CID 64761578
1-[3-(aminomethyl)oxolan-3-yl]-3,3,5-trimethylcyclohexan-1-ol
CID 79128824
3-[4-(aminomethyl)oxan-4-yl]oxolan-3-ol
CID 79135319
3-[1-(aminomethyl)-3-ethylcyclohexyl]oxolan-3-ol
CID 79135585
1-[4-(aminomethyl)oxan-4-yl]-3,5-dimethylcyclohexan-1-ol
CID 79124414
3-[4-(aminomethyl)oxan-4-yl]oxan-3-ol
CID 79125192
4-[3-(aminomethyl)oxolan-3-yl]-1-methylazepan-4-ol
CID 79126100

Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)oxolan-3-yl]-2,3-dimethylcyclohexan-1-ol?
The IUPAC name of 1-[3-(aminomethyl)oxolan-3-yl]-2,3-dimethylcyclohexan-1-ol (CID 79125923) is 1-[3-(aminomethyl)oxolan-3-yl]-2,3-dimethylcyclohexan-1-ol.
What is the SMILES notation for 1-[3-(aminomethyl)oxolan-3-yl]-2,3-dimethylcyclohexan-1-ol?
The canonical SMILES for 1-[3-(aminomethyl)oxolan-3-yl]-2,3-dimethylcyclohexan-1-ol is CC1CCCC(O)(C2(CN)CCOC2)C1C.
What is the InChIKey of 1-[3-(aminomethyl)oxolan-3-yl]-2,3-dimethylcyclohexan-1-ol?
The InChIKey is WLKBMWRUUVFGAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-10-4-3-5-13(15,11(10)2)12(8-14)6-7-16-9-12/h10-11,15H,3-9,14H2,1-2H3.
What are the key properties of 1-[3-(aminomethyl)oxolan-3-yl]-2,3-dimethylcyclohexan-1-ol?
1-[3-(aminomethyl)oxolan-3-yl]-2,3-dimethylcyclohexan-1-ol has a molecular weight of 227.35 g/mol, XLogP of 1.54, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(aminomethyl)oxolan-3-yl]-2,3-dimethylcyclohexan-1-ol is sourced from PubChem (CID 79125923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).