[1-(oxolan-3-ylmethoxy)cyclohexyl]methanamine

C12H23NO2 — CID 62109560

IUPAC[1-(oxolan-3-ylmethoxy)cyclohexyl]methanamine
SMILESNCC1(OCC2CCOC2)CCCCC1
InChIInChI=1S/C12H23NO2/c13-10-12(5-2-1-3-6-12)15-9-11-4-7-14-8-11/h11H,1-10,13H2
InChIKeyWKSIEJAPTLWBHW-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.70
Rot. Bonds4

About [1-(oxolan-3-ylmethoxy)cyclohexyl]methanamine

[1-(oxolan-3-ylmethoxy)cyclohexyl]methanamine (PubChem CID 62109560) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is [1-(oxolan-3-ylmethoxy)cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(oxolan-3-ylmethoxy)cyclohexyl]methanamine
PubChem CID62109560
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name[1-(oxolan-3-ylmethoxy)cyclohexyl]methanamine
SMILESNCC1(OCC2CCOC2)CCCCC1
InChIInChI=1S/C12H23NO2/c13-10-12(5-2-1-3-6-12)15-9-11-4-7-14-8-11/h11H,1-10,13H2
InChIKeyWKSIEJAPTLWBHW-UHFFFAOYSA-N
XLogP1.70
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[1-(bromomethyl)cyclohexyl]oxymethyl]oxolane
CID 62108159
[1-(oxolan-3-ylmethoxy)-4-propylcyclohexyl]methanamine
CID 55036245
[1-(cyclohexylmethoxy)cyclohexyl]methanamine
CID 62383521
[1-(cyclopentylmethoxy)cycloheptyl]methanamine
CID 65051749
[4,4-dimethyl-1-(oxan-4-ylmethoxy)cyclohexyl]methanamine
CID 65052287
[4-(cyclopropylmethoxy)oxan-4-yl]methanamine
CID 65051703
N-methyl-2-[1-(oxolan-3-ylmethoxy)cyclobutyl]ethanamine
CID 103273960
4-[[1-(bromomethyl)cyclohexyl]oxymethyl]oxane
CID 62382188
[1-(oxolan-3-yloxy)cycloheptyl]methanamine
CID 63558677
oxolan-3-ylmethyl 1-(aminomethyl)cyclopentane-1-carboxylate
CID 115433872
3-[[1-(iodomethyl)-4-methylcyclohexyl]oxymethyl]oxolane
CID 114773793
N-[[1-(aminomethyl)cyclohexyl]methyl]-1-(oxolan-3-yl)methanamine
CID 115438163

Frequently Asked Questions

What is the IUPAC name of [1-(oxolan-3-ylmethoxy)cyclohexyl]methanamine?
The IUPAC name of [1-(oxolan-3-ylmethoxy)cyclohexyl]methanamine (CID 62109560) is [1-(oxolan-3-ylmethoxy)cyclohexyl]methanamine.
What is the SMILES notation for [1-(oxolan-3-ylmethoxy)cyclohexyl]methanamine?
The canonical SMILES for [1-(oxolan-3-ylmethoxy)cyclohexyl]methanamine is NCC1(OCC2CCOC2)CCCCC1.
What is the InChIKey of [1-(oxolan-3-ylmethoxy)cyclohexyl]methanamine?
The InChIKey is WKSIEJAPTLWBHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c13-10-12(5-2-1-3-6-12)15-9-11-4-7-14-8-11/h11H,1-10,13H2.
What are the key properties of [1-(oxolan-3-ylmethoxy)cyclohexyl]methanamine?
[1-(oxolan-3-ylmethoxy)cyclohexyl]methanamine has a molecular weight of 213.32 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(oxolan-3-ylmethoxy)cyclohexyl]methanamine is sourced from PubChem (CID 62109560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).