2-butyl-4-tert-butyl-N-methylcyclohexan-1-amine

C15H31N — CID 63401093

IUPAC2-butyl-4-tert-butyl-N-methylcyclohexan-1-amine
SMILESCCCCC1CC(C(C)(C)C)CCC1NC
InChIInChI=1S/C15H31N/c1-6-7-8-12-11-13(15(2,3)4)9-10-14(12)16-5/h12-14,16H,6-11H2,1-5H3
InChIKeyWLDYFPVURKOAII-UHFFFAOYSA-N
MW225.42 g/mol
LogP4.23
Rot. Bonds4

About 2-butyl-4-tert-butyl-N-methylcyclohexan-1-amine

2-butyl-4-tert-butyl-N-methylcyclohexan-1-amine (PubChem CID 63401093) has the molecular formula C15H31N and a molecular weight of 225.42 g/mol. Its IUPAC name is 2-butyl-4-tert-butyl-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name2-butyl-4-tert-butyl-N-methylcyclohexan-1-amine
PubChem CID63401093
Molecular FormulaC15H31N
Molecular Weight225.42 g/mol
Exact Mass225.25
IUPAC Name2-butyl-4-tert-butyl-N-methylcyclohexan-1-amine
SMILESCCCCC1CC(C(C)(C)C)CCC1NC
InChIInChI=1S/C15H31N/c1-6-7-8-12-11-13(15(2,3)4)9-10-14(12)16-5/h12-14,16H,6-11H2,1-5H3
InChIKeyWLDYFPVURKOAII-UHFFFAOYSA-N
XLogP4.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.42
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-tert-butyl-N-methyl-2-pentylcyclohexan-1-amine
CID 63401228
4-tert-butyl-2-pentyl-N-propylcyclohexan-1-amine
CID 63401586
1-butyl-4-tert-butyl-2-ethylcyclohexane
CID 123975889
1-bromo-2-butyl-4-tert-butylcyclohexane
CID 63472618
4-tert-butyl-N-methyl-2-(2-methylpentyl)cyclohexan-1-amine
CID 63401489
N,4-dimethyl-2-nonylcyclohexan-1-amine
CID 63403610
4-tert-butyl-N-methyl-2-[[methyl(pentan-2-yl)amino]methyl]cyclohexan-1-amine
CID 63494004
4-tert-butyl-2-[(4-ethylpiperazin-1-yl)methyl]-N-methylcyclohexan-1-amine
CID 62614453
4-tert-butyl-1-N,2-N-dimethyl-2-N-pentylcyclohexane-1,2-diamine
CID 63467911
butan-1-ol;2-butyl-N-methylcyclobutan-1-amine
CID 71071171
4-tert-butyl-2-heptylcyclohexan-1-ol
CID 63462001
2-hexyl-N-methyl-4-propylcyclohexan-1-amine
CID 63403681

Frequently Asked Questions

What is the IUPAC name of 2-butyl-4-tert-butyl-N-methylcyclohexan-1-amine?
The IUPAC name of 2-butyl-4-tert-butyl-N-methylcyclohexan-1-amine (CID 63401093) is 2-butyl-4-tert-butyl-N-methylcyclohexan-1-amine.
What is the SMILES notation for 2-butyl-4-tert-butyl-N-methylcyclohexan-1-amine?
The canonical SMILES for 2-butyl-4-tert-butyl-N-methylcyclohexan-1-amine is CCCCC1CC(C(C)(C)C)CCC1NC.
What is the InChIKey of 2-butyl-4-tert-butyl-N-methylcyclohexan-1-amine?
The InChIKey is WLDYFPVURKOAII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N/c1-6-7-8-12-11-13(15(2,3)4)9-10-14(12)16-5/h12-14,16H,6-11H2,1-5H3.
What are the key properties of 2-butyl-4-tert-butyl-N-methylcyclohexan-1-amine?
2-butyl-4-tert-butyl-N-methylcyclohexan-1-amine has a molecular weight of 225.42 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-4-tert-butyl-N-methylcyclohexan-1-amine is sourced from PubChem (CID 63401093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).