4-tert-butyl-2-(propan-2-yloxymethyl)cyclohexan-1-amine

C14H29NO — CID 81013975

IUPAC4-tert-butyl-2-(propan-2-yloxymethyl)cyclohexan-1-amine
SMILESCC(C)OCC1CC(C(C)(C)C)CCC1N
InChIInChI=1S/C14H29NO/c1-10(2)16-9-11-8-12(14(3,4)5)6-7-13(11)15/h10-13H,6-9,15H2,1-5H3
InChIKeyGINSDIZAGFQQRD-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.20
Rot. Bonds3

About 4-tert-butyl-2-(propan-2-yloxymethyl)cyclohexan-1-amine

4-tert-butyl-2-(propan-2-yloxymethyl)cyclohexan-1-amine (PubChem CID 81013975) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 4-tert-butyl-2-(propan-2-yloxymethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-tert-butyl-2-(propan-2-yloxymethyl)cyclohexan-1-amine
PubChem CID81013975
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name4-tert-butyl-2-(propan-2-yloxymethyl)cyclohexan-1-amine
SMILESCC(C)OCC1CC(C(C)(C)C)CCC1N
InChIInChI=1S/C14H29NO/c1-10(2)16-9-11-8-12(14(3,4)5)6-7-13(11)15/h10-13H,6-9,15H2,1-5H3
InChIKeyGINSDIZAGFQQRD-UHFFFAOYSA-N
XLogP3.20
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-tert-butyl-2-(2-propan-2-yloxyethoxy)cyclohexan-1-amine
CID 43184301
4-ethyl-2-(propan-2-yloxymethyl)cyclohexan-1-amine
CID 81014934
4-tert-butyl-2-(4-methoxybutyl)cyclohexan-1-amine
CID 104648365
4-tert-butyl-2-[(4-methylpiperidin-1-yl)methyl]cyclohexan-1-amine
CID 62615514
1-[(2-amino-5-tert-butylcyclohexyl)methyl]pyrrolidine-3,4-diol
CID 106674063
4-tert-butyl-2-[[cyclopentyl(methyl)amino]methyl]cyclohexan-1-amine
CID 55094183
4-tert-butyl-2-[(4-methylphenyl)methyl]cyclohexan-1-amine
CID 63401399
1-[(2-amino-5-tert-butylcyclohexyl)methyl]piperidin-4-ol
CID 62614983
4-tert-butyl-2-[[cyclohexyl(methyl)amino]methyl]cyclohexan-1-amine
CID 63483790
4-tert-butylcyclohexane-1,2-diamine;dichloroplatinum
CID 11553875
4-[2-(4-amino-3-ethylcyclohexyl)propan-2-yl]-2-ethylcyclohexan-1-amine
CID 118035063
4-tert-butyl-2-(2-phenylethyl)cyclohexan-1-amine
CID 81013816

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-(propan-2-yloxymethyl)cyclohexan-1-amine?
The IUPAC name of 4-tert-butyl-2-(propan-2-yloxymethyl)cyclohexan-1-amine (CID 81013975) is 4-tert-butyl-2-(propan-2-yloxymethyl)cyclohexan-1-amine.
What is the SMILES notation for 4-tert-butyl-2-(propan-2-yloxymethyl)cyclohexan-1-amine?
The canonical SMILES for 4-tert-butyl-2-(propan-2-yloxymethyl)cyclohexan-1-amine is CC(C)OCC1CC(C(C)(C)C)CCC1N.
What is the InChIKey of 4-tert-butyl-2-(propan-2-yloxymethyl)cyclohexan-1-amine?
The InChIKey is GINSDIZAGFQQRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-10(2)16-9-11-8-12(14(3,4)5)6-7-13(11)15/h10-13H,6-9,15H2,1-5H3.
What are the key properties of 4-tert-butyl-2-(propan-2-yloxymethyl)cyclohexan-1-amine?
4-tert-butyl-2-(propan-2-yloxymethyl)cyclohexan-1-amine has a molecular weight of 227.39 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-(propan-2-yloxymethyl)cyclohexan-1-amine is sourced from PubChem (CID 81013975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).