4-tert-butyl-N-methyl-2-[[methyl(pentan-2-yl)amino]methyl]cyclohexan-1-amine

C18H38N2 — CID 63494004

IUPAC4-tert-butyl-N-methyl-2-[[methyl(pentan-2-yl)amino]methyl]cyclohexan-1-amine
SMILESCCCC(C)N(C)CC1CC(C(C)(C)C)CCC1NC
InChIInChI=1S/C18H38N2/c1-8-9-14(2)20(7)13-15-12-16(18(3,4)5)10-11-17(15)19-6/h14-17,19H,8-13H2,1-7H3
InChIKeyAYQJKONOGJSYDM-UHFFFAOYSA-N
MW282.52 g/mol
LogP4.16
Rot. Bonds6

About 4-tert-butyl-N-methyl-2-[[methyl(pentan-2-yl)amino]methyl]cyclohexan-1-amine

4-tert-butyl-N-methyl-2-[[methyl(pentan-2-yl)amino]methyl]cyclohexan-1-amine (PubChem CID 63494004) has the molecular formula C18H38N2 and a molecular weight of 282.52 g/mol. Its IUPAC name is 4-tert-butyl-N-methyl-2-[[methyl(pentan-2-yl)amino]methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-tert-butyl-N-methyl-2-[[methyl(pentan-2-yl)amino]methyl]cyclohexan-1-amine
PubChem CID63494004
Molecular FormulaC18H38N2
Molecular Weight282.52 g/mol
Exact Mass282.30
IUPAC Name4-tert-butyl-N-methyl-2-[[methyl(pentan-2-yl)amino]methyl]cyclohexan-1-amine
SMILESCCCC(C)N(C)CC1CC(C(C)(C)C)CCC1NC
InChIInChI=1S/C18H38N2/c1-8-9-14(2)20(7)13-15-12-16(18(3,4)5)10-11-17(15)19-6/h14-17,19H,8-13H2,1-7H3
InChIKeyAYQJKONOGJSYDM-UHFFFAOYSA-N
XLogP4.16
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.52
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[5-tert-butyl-2-(methylamino)cyclohexyl]methyl-methylamino]propan-2-ol
CID 62608989
4-tert-butyl-N-methyl-2-(2-methylpentyl)cyclohexan-1-amine
CID 63401489
2-[[butan-2-yl(ethyl)amino]methyl]-4-tert-butyl-N-methylcyclohexan-1-amine
CID 63483811
4-tert-butyl-N-methyl-2-[[2-methylpropyl(propan-2-yl)amino]methyl]cyclohexan-1-amine
CID 63493941
4-tert-butyl-N-ethyl-2-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]cyclohexan-1-amine
CID 115987570
4-tert-butyl-N-methyl-2-[[methyl(2-methylsulfanylethyl)amino]methyl]cyclohexan-1-amine
CID 112664680
4-tert-butyl-2-[[cyclohexyl(methyl)amino]methyl]-N-methylcyclohexan-1-amine
CID 63483791
2-butyl-4-tert-butyl-N-methylcyclohexan-1-amine
CID 63401093
4-tert-butyl-N-methyl-2-pentylcyclohexan-1-amine
CID 63401228
N-[[5-tert-butyl-2-(methylamino)cyclohexyl]methyl]-N-methylaniline
CID 63482857
4-methyl-2-[[methyl(pentan-2-yl)amino]methyl]-N-propylcyclohexan-1-amine
CID 63493449
2-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-N-methyl-4-propylcyclohexan-1-amine
CID 63493665

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-methyl-2-[[methyl(pentan-2-yl)amino]methyl]cyclohexan-1-amine?
The IUPAC name of 4-tert-butyl-N-methyl-2-[[methyl(pentan-2-yl)amino]methyl]cyclohexan-1-amine (CID 63494004) is 4-tert-butyl-N-methyl-2-[[methyl(pentan-2-yl)amino]methyl]cyclohexan-1-amine.
What is the SMILES notation for 4-tert-butyl-N-methyl-2-[[methyl(pentan-2-yl)amino]methyl]cyclohexan-1-amine?
The canonical SMILES for 4-tert-butyl-N-methyl-2-[[methyl(pentan-2-yl)amino]methyl]cyclohexan-1-amine is CCCC(C)N(C)CC1CC(C(C)(C)C)CCC1NC.
What is the InChIKey of 4-tert-butyl-N-methyl-2-[[methyl(pentan-2-yl)amino]methyl]cyclohexan-1-amine?
The InChIKey is AYQJKONOGJSYDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2/c1-8-9-14(2)20(7)13-15-12-16(18(3,4)5)10-11-17(15)19-6/h14-17,19H,8-13H2,1-7H3.
What are the key properties of 4-tert-butyl-N-methyl-2-[[methyl(pentan-2-yl)amino]methyl]cyclohexan-1-amine?
4-tert-butyl-N-methyl-2-[[methyl(pentan-2-yl)amino]methyl]cyclohexan-1-amine has a molecular weight of 282.52 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-methyl-2-[[methyl(pentan-2-yl)amino]methyl]cyclohexan-1-amine is sourced from PubChem (CID 63494004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).