[4-tert-butyl-1-[2-(oxolan-2-yl)ethoxy]cyclohexyl]methanamine

C17H33NO2 — CID 65158713

IUPAC[4-tert-butyl-1-[2-(oxolan-2-yl)ethoxy]cyclohexyl]methanamine
SMILESCC(C)(C)C1CCC(CN)(OCCC2CCCO2)CC1
InChIInChI=1S/C17H33NO2/c1-16(2,3)14-6-9-17(13-18,10-7-14)20-12-8-15-5-4-11-19-15/h14-15H,4-13,18H2,1-3H3
InChIKeyDZSJMSMVOGGFJZ-UHFFFAOYSA-N
MW283.46 g/mol
LogP3.51
Rot. Bonds5

About [4-tert-butyl-1-[2-(oxolan-2-yl)ethoxy]cyclohexyl]methanamine

[4-tert-butyl-1-[2-(oxolan-2-yl)ethoxy]cyclohexyl]methanamine (PubChem CID 65158713) has the molecular formula C17H33NO2 and a molecular weight of 283.46 g/mol. Its IUPAC name is [4-tert-butyl-1-[2-(oxolan-2-yl)ethoxy]cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-tert-butyl-1-[2-(oxolan-2-yl)ethoxy]cyclohexyl]methanamine
PubChem CID65158713
Molecular FormulaC17H33NO2
Molecular Weight283.46 g/mol
Exact Mass283.25
IUPAC Name[4-tert-butyl-1-[2-(oxolan-2-yl)ethoxy]cyclohexyl]methanamine
SMILESCC(C)(C)C1CCC(CN)(OCCC2CCCO2)CC1
InChIInChI=1S/C17H33NO2/c1-16(2,3)14-6-9-17(13-18,10-7-14)20-12-8-15-5-4-11-19-15/h14-15H,4-13,18H2,1-3H3
InChIKeyDZSJMSMVOGGFJZ-UHFFFAOYSA-N
XLogP3.51
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[2-(oxolan-2-yl)ethoxy]cyclohexyl]methanamine
CID 65158471
[1-[3-(oxolan-2-yl)propoxy]-4-propan-2-ylcyclohexyl]methanamine
CID 65158667
2-[[4-tert-butyl-1-(iodomethyl)cyclohexyl]oxymethyl]oxolane
CID 114773000
[4-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclohexyl]methanamine
CID 115942105
[4-tert-butyl-1-(3-fluoropropoxy)cyclohexyl]methanamine
CID 81105509
[4-tert-butyl-1-(3-methylbutoxy)cyclohexyl]methanamine
CID 55192678
[4-tert-butyl-1-[(4-methylmorpholin-2-yl)methoxy]cyclohexyl]methanamine
CID 79163781
4-tert-butyl-1-(oxolan-2-ylmethyl)cyclohexan-1-amine
CID 55096392
[4,4-dimethyl-1-(oxolan-2-ylmethoxy)cyclohexyl]methanamine
CID 65050953
[1-(oxolan-2-ylmethoxy)-4-propan-2-ylcyclohexyl]methanamine
CID 62107413
[3-methyl-1-(oxolan-2-ylmethoxy)cyclopentyl]methanamine
CID 65051674
methyl 3-[1-(aminomethyl)-4-tert-butylcyclohexyl]oxypropanoate
CID 65052721

Frequently Asked Questions

What is the IUPAC name of [4-tert-butyl-1-[2-(oxolan-2-yl)ethoxy]cyclohexyl]methanamine?
The IUPAC name of [4-tert-butyl-1-[2-(oxolan-2-yl)ethoxy]cyclohexyl]methanamine (CID 65158713) is [4-tert-butyl-1-[2-(oxolan-2-yl)ethoxy]cyclohexyl]methanamine.
What is the SMILES notation for [4-tert-butyl-1-[2-(oxolan-2-yl)ethoxy]cyclohexyl]methanamine?
The canonical SMILES for [4-tert-butyl-1-[2-(oxolan-2-yl)ethoxy]cyclohexyl]methanamine is CC(C)(C)C1CCC(CN)(OCCC2CCCO2)CC1.
What is the InChIKey of [4-tert-butyl-1-[2-(oxolan-2-yl)ethoxy]cyclohexyl]methanamine?
The InChIKey is DZSJMSMVOGGFJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO2/c1-16(2,3)14-6-9-17(13-18,10-7-14)20-12-8-15-5-4-11-19-15/h14-15H,4-13,18H2,1-3H3.
What are the key properties of [4-tert-butyl-1-[2-(oxolan-2-yl)ethoxy]cyclohexyl]methanamine?
[4-tert-butyl-1-[2-(oxolan-2-yl)ethoxy]cyclohexyl]methanamine has a molecular weight of 283.46 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-tert-butyl-1-[2-(oxolan-2-yl)ethoxy]cyclohexyl]methanamine is sourced from PubChem (CID 65158713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).