[4-tert-butyl-1-(2-methylbutoxy)cyclohexyl]methanamine

C16H33NO — CID 65052867

IUPAC[4-tert-butyl-1-(2-methylbutoxy)cyclohexyl]methanamine
SMILESCCC(C)COC1(CN)CCC(C(C)(C)C)CC1
InChIInChI=1S/C16H33NO/c1-6-13(2)11-18-16(12-17)9-7-14(8-10-16)15(3,4)5/h13-14H,6-12,17H2,1-5H3
InChIKeyHYKJVOJHTIGQID-UHFFFAOYSA-N
MW255.45 g/mol
LogP3.98
Rot. Bonds5

About [4-tert-butyl-1-(2-methylbutoxy)cyclohexyl]methanamine

[4-tert-butyl-1-(2-methylbutoxy)cyclohexyl]methanamine (PubChem CID 65052867) has the molecular formula C16H33NO and a molecular weight of 255.45 g/mol. Its IUPAC name is [4-tert-butyl-1-(2-methylbutoxy)cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-tert-butyl-1-(2-methylbutoxy)cyclohexyl]methanamine
PubChem CID65052867
Molecular FormulaC16H33NO
Molecular Weight255.45 g/mol
Exact Mass255.26
IUPAC Name[4-tert-butyl-1-(2-methylbutoxy)cyclohexyl]methanamine
SMILESCCC(C)COC1(CN)CCC(C(C)(C)C)CC1
InChIInChI=1S/C16H33NO/c1-6-13(2)11-18-16(12-17)9-7-14(8-10-16)15(3,4)5/h13-14H,6-12,17H2,1-5H3
InChIKeyHYKJVOJHTIGQID-UHFFFAOYSA-N
XLogP3.98
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [4-tert-butyl-1-(2-methylbutoxy)cyclohexyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-tert-butyl-1-(2-methylpentoxy)cyclohexyl]methanamine
CID 65052671
[4-tert-butyl-1-(3-methylbutoxy)cyclohexyl]methanamine
CID 55192678
(4-tert-butyl-1-octoxycyclohexyl)methanamine
CID 63475910
N-[[4-tert-butyl-1-(2-methylpentoxy)cyclohexyl]methyl]ethanamine
CID 103285214
[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-cyclobutyloxycyclohexyl)methanamine
CID 62383311
(4-tert-butyl-1-phenylmethoxycyclohexyl)methanamine
CID 63473711
4-tert-butyl-1-(2-ethylhexoxy)-1-(iodomethyl)cyclohexane
CID 114773371
methyl 3-[1-(aminomethyl)-4-tert-butylcyclohexyl]oxypropanoate
CID 65052721
2-[1-(aminomethyl)-4-tert-butylcyclohexyl]oxy-N,N-dimethylpropanamide
CID 65052232
[4-tert-butyl-1-(2-ethylbutyl)cyclohexyl]methanamine
CID 82930941

Frequently Asked Questions

What is the IUPAC name of [4-tert-butyl-1-(2-methylbutoxy)cyclohexyl]methanamine?
The IUPAC name of [4-tert-butyl-1-(2-methylbutoxy)cyclohexyl]methanamine (CID 65052867) is [4-tert-butyl-1-(2-methylbutoxy)cyclohexyl]methanamine.
What is the SMILES notation for [4-tert-butyl-1-(2-methylbutoxy)cyclohexyl]methanamine?
The canonical SMILES for [4-tert-butyl-1-(2-methylbutoxy)cyclohexyl]methanamine is CCC(C)COC1(CN)CCC(C(C)(C)C)CC1.
What is the InChIKey of [4-tert-butyl-1-(2-methylbutoxy)cyclohexyl]methanamine?
The InChIKey is HYKJVOJHTIGQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO/c1-6-13(2)11-18-16(12-17)9-7-14(8-10-16)15(3,4)5/h13-14H,6-12,17H2,1-5H3.
What are the key properties of [4-tert-butyl-1-(2-methylbutoxy)cyclohexyl]methanamine?
[4-tert-butyl-1-(2-methylbutoxy)cyclohexyl]methanamine has a molecular weight of 255.45 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-tert-butyl-1-(2-methylbutoxy)cyclohexyl]methanamine is sourced from PubChem (CID 65052867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).