1-[3-(aminomethyl)oxolan-3-yl]-3-methoxycyclohexan-1-ol

C12H23NO3 — CID 106874866

IUPAC1-[3-(aminomethyl)oxolan-3-yl]-3-methoxycyclohexan-1-ol
SMILESCOC1CCCC(O)(C2(CN)CCOC2)C1
InChIInChI=1S/C12H23NO3/c1-15-10-3-2-4-12(14,7-10)11(8-13)5-6-16-9-11/h10,14H,2-9,13H2,1H3
InChIKeyJCJMODNZMZAVEL-UHFFFAOYSA-N
MW229.32 g/mol
LogP0.67
Rot. Bonds3

About 1-[3-(aminomethyl)oxolan-3-yl]-3-methoxycyclohexan-1-ol

1-[3-(aminomethyl)oxolan-3-yl]-3-methoxycyclohexan-1-ol (PubChem CID 106874866) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 1-[3-(aminomethyl)oxolan-3-yl]-3-methoxycyclohexan-1-ol.

Molecular Properties

Compound Name1-[3-(aminomethyl)oxolan-3-yl]-3-methoxycyclohexan-1-ol
PubChem CID106874866
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name1-[3-(aminomethyl)oxolan-3-yl]-3-methoxycyclohexan-1-ol
SMILESCOC1CCCC(O)(C2(CN)CCOC2)C1
InChIInChI=1S/C12H23NO3/c1-15-10-3-2-4-12(14,7-10)11(8-13)5-6-16-9-11/h10,14H,2-9,13H2,1H3
InChIKeyJCJMODNZMZAVEL-UHFFFAOYSA-N
XLogP0.67
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(aminomethyl)oxolan-3-yl]-2,3-dimethylcyclohexan-1-ol
CID 79125923
4-[3-(aminomethyl)oxolan-3-yl]-1-methylazepan-4-ol
CID 79126100
1-[3-(aminomethyl)oxan-3-yl]cyclopentan-1-ol
CID 103715907
1-[3-(aminomethyl)oxolan-3-yl]-3,3,5-trimethylcyclohexan-1-ol
CID 79128824
1-[3-(aminomethyl)oxolan-3-yl]-2,2-dimethylcyclohexan-1-ol
CID 79852618
3-[4-(aminomethyl)oxan-4-yl]oxan-3-ol
CID 79125192
3-[1-(aminomethyl)-3-ethylcyclohexyl]oxolan-3-ol
CID 79135585
8-[3-(aminomethyl)oxolan-3-yl]-1,4-dioxaspiro[4.5]decan-8-ol
CID 79124643
3-[4-(aminomethyl)oxan-4-yl]oxolan-3-ol
CID 79135319
1-[4-(aminomethyl)oxan-4-yl]-3,5-dimethylcyclohexan-1-ol
CID 79124414
3-[3-(aminomethyl)oxolan-3-yl]-2-methyloxolan-3-ol
CID 82721047
4-[4-(aminomethyl)oxan-4-yl]oxan-4-ol
CID 79136047

Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)oxolan-3-yl]-3-methoxycyclohexan-1-ol?
The IUPAC name of 1-[3-(aminomethyl)oxolan-3-yl]-3-methoxycyclohexan-1-ol (CID 106874866) is 1-[3-(aminomethyl)oxolan-3-yl]-3-methoxycyclohexan-1-ol.
What is the SMILES notation for 1-[3-(aminomethyl)oxolan-3-yl]-3-methoxycyclohexan-1-ol?
The canonical SMILES for 1-[3-(aminomethyl)oxolan-3-yl]-3-methoxycyclohexan-1-ol is COC1CCCC(O)(C2(CN)CCOC2)C1.
What is the InChIKey of 1-[3-(aminomethyl)oxolan-3-yl]-3-methoxycyclohexan-1-ol?
The InChIKey is JCJMODNZMZAVEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-15-10-3-2-4-12(14,7-10)11(8-13)5-6-16-9-11/h10,14H,2-9,13H2,1H3.
What are the key properties of 1-[3-(aminomethyl)oxolan-3-yl]-3-methoxycyclohexan-1-ol?
1-[3-(aminomethyl)oxolan-3-yl]-3-methoxycyclohexan-1-ol has a molecular weight of 229.32 g/mol, XLogP of 0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(aminomethyl)oxolan-3-yl]-3-methoxycyclohexan-1-ol is sourced from PubChem (CID 106874866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).