[4,4-dimethyl-1-(oxolan-2-ylmethoxy)cyclohexyl]methanamine

C14H27NO2 — CID 65050953

IUPAC[4,4-dimethyl-1-(oxolan-2-ylmethoxy)cyclohexyl]methanamine
SMILESCC1(C)CCC(CN)(OCC2CCCO2)CC1
InChIInChI=1S/C14H27NO2/c1-13(2)5-7-14(11-15,8-6-13)17-10-12-4-3-9-16-12/h12H,3-11,15H2,1-2H3
InChIKeyOOXULURADDMJIV-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.48
Rot. Bonds4

About [4,4-dimethyl-1-(oxolan-2-ylmethoxy)cyclohexyl]methanamine

[4,4-dimethyl-1-(oxolan-2-ylmethoxy)cyclohexyl]methanamine (PubChem CID 65050953) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is [4,4-dimethyl-1-(oxolan-2-ylmethoxy)cyclohexyl]methanamine.

Molecular Properties

Compound Name[4,4-dimethyl-1-(oxolan-2-ylmethoxy)cyclohexyl]methanamine
PubChem CID65050953
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name[4,4-dimethyl-1-(oxolan-2-ylmethoxy)cyclohexyl]methanamine
SMILESCC1(C)CCC(CN)(OCC2CCCO2)CC1
InChIInChI=1S/C14H27NO2/c1-13(2)5-7-14(11-15,8-6-13)17-10-12-4-3-9-16-12/h12H,3-11,15H2,1-2H3
InChIKeyOOXULURADDMJIV-UHFFFAOYSA-N
XLogP2.48
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(oxolan-2-ylmethoxy)-4-propan-2-ylcyclohexyl]methanamine
CID 62107413
[3-methyl-1-(oxolan-2-ylmethoxy)cyclopentyl]methanamine
CID 65051674
[4,4-dimethyl-1-(oxan-4-ylmethoxy)cyclohexyl]methanamine
CID 65052287
[1-[2-(oxolan-2-yl)ethoxy]cyclohexyl]methanamine
CID 65158471
[4-tert-butyl-1-[2-(oxolan-2-yl)ethoxy]cyclohexyl]methanamine
CID 65158713
1-(aminomethyl)-4,4-dimethyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine
CID 65377148
[1-[3-(oxolan-2-yl)propoxy]-4-propan-2-ylcyclohexyl]methanamine
CID 65158667
2-[[4-tert-butyl-1-(iodomethyl)cyclohexyl]oxymethyl]oxolane
CID 114773000
2-methyl-N-[[1-(oxolan-2-ylmethoxy)cyclohexyl]methyl]propan-2-amine
CID 62107941
N-[[1-(oxolan-2-ylmethoxy)cycloheptyl]methyl]cyclopropanamine
CID 55036625
N-[[1-(oxolan-2-ylmethoxy)cyclohexyl]methyl]cyclopropanamine
CID 62107940
2-[[1-(iodomethyl)cyclohexyl]oxymethyl]oxane
CID 114772663

Frequently Asked Questions

What is the IUPAC name of [4,4-dimethyl-1-(oxolan-2-ylmethoxy)cyclohexyl]methanamine?
The IUPAC name of [4,4-dimethyl-1-(oxolan-2-ylmethoxy)cyclohexyl]methanamine (CID 65050953) is [4,4-dimethyl-1-(oxolan-2-ylmethoxy)cyclohexyl]methanamine.
What is the SMILES notation for [4,4-dimethyl-1-(oxolan-2-ylmethoxy)cyclohexyl]methanamine?
The canonical SMILES for [4,4-dimethyl-1-(oxolan-2-ylmethoxy)cyclohexyl]methanamine is CC1(C)CCC(CN)(OCC2CCCO2)CC1.
What is the InChIKey of [4,4-dimethyl-1-(oxolan-2-ylmethoxy)cyclohexyl]methanamine?
The InChIKey is OOXULURADDMJIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-13(2)5-7-14(11-15,8-6-13)17-10-12-4-3-9-16-12/h12H,3-11,15H2,1-2H3.
What are the key properties of [4,4-dimethyl-1-(oxolan-2-ylmethoxy)cyclohexyl]methanamine?
[4,4-dimethyl-1-(oxolan-2-ylmethoxy)cyclohexyl]methanamine has a molecular weight of 241.37 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4,4-dimethyl-1-(oxolan-2-ylmethoxy)cyclohexyl]methanamine is sourced from PubChem (CID 65050953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).