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

C19H40N2 — CID 63493941

IUPAC4-tert-butyl-N-methyl-2-[[2-methylpropyl(propan-2-yl)amino]methyl]cyclohexan-1-amine
SMILESCNC1CCC(C(C)(C)C)CC1CN(CC(C)C)C(C)C
InChIInChI=1S/C19H40N2/c1-14(2)12-21(15(3)4)13-16-11-17(19(5,6)7)9-10-18(16)20-8/h14-18,20H,9-13H2,1-8H3
InChIKeyGHEOUQJIYXTJPH-UHFFFAOYSA-N
MW296.54 g/mol
LogP4.40
Rot. Bonds6

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

4-tert-butyl-N-methyl-2-[[2-methylpropyl(propan-2-yl)amino]methyl]cyclohexan-1-amine (PubChem CID 63493941) has the molecular formula C19H40N2 and a molecular weight of 296.54 g/mol. Its IUPAC name is 4-tert-butyl-N-methyl-2-[[2-methylpropyl(propan-2-yl)amino]methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-tert-butyl-N-methyl-2-[[2-methylpropyl(propan-2-yl)amino]methyl]cyclohexan-1-amine
PubChem CID63493941
Molecular FormulaC19H40N2
Molecular Weight296.54 g/mol
Exact Mass296.32
IUPAC Name4-tert-butyl-N-methyl-2-[[2-methylpropyl(propan-2-yl)amino]methyl]cyclohexan-1-amine
SMILESCNC1CCC(C(C)(C)C)CC1CN(CC(C)C)C(C)C
InChIInChI=1S/C19H40N2/c1-14(2)12-21(15(3)4)13-16-11-17(19(5,6)7)9-10-18(16)20-8/h14-18,20H,9-13H2,1-8H3
InChIKeyGHEOUQJIYXTJPH-UHFFFAOYSA-N
XLogP4.40
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.54
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

2-[[butan-2-yl(ethyl)amino]methyl]-4-tert-butyl-N-methylcyclohexan-1-amine
CID 63483811
1-[[5-tert-butyl-2-(methylamino)cyclohexyl]methyl-methylamino]propan-2-ol
CID 62608989
4-tert-butyl-N-methyl-2-[[methyl(pentan-2-yl)amino]methyl]cyclohexan-1-amine
CID 63494004
N-methyl-4-[[2-methylpropyl(propan-2-yl)amino]methyl]oxolan-3-amine
CID 66245583
N-[[5-tert-butyl-2-(methylamino)cyclohexyl]methyl]-N-methylaniline
CID 63482857
4-tert-butyl-2-[[cyclohexyl(methyl)amino]methyl]-N-methylcyclohexan-1-amine
CID 63483791
4-tert-butyl-N-methyl-2-(2-methylpentyl)cyclohexan-1-amine
CID 63401489
4-tert-butyl-N-methyl-2-[[methyl(2-methylsulfanylethyl)amino]methyl]cyclohexan-1-amine
CID 112664680
2-[[ethyl(propan-2-yl)amino]methyl]-N,4-dimethylcyclohexan-1-amine
CID 62614852
2-butyl-4-tert-butyl-N-methylcyclohexan-1-amine
CID 63401093
4-tert-butyl-2-N-cyclopropyl-1-N-methyl-2-N-(3-methylbutyl)cyclohexane-1,2-diamine
CID 78943997
4-tert-butyl-N-methyl-2-pentylcyclohexan-1-amine
CID 63401228

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-methyl-2-[[2-methylpropyl(propan-2-yl)amino]methyl]cyclohexan-1-amine?
The IUPAC name of 4-tert-butyl-N-methyl-2-[[2-methylpropyl(propan-2-yl)amino]methyl]cyclohexan-1-amine (CID 63493941) is 4-tert-butyl-N-methyl-2-[[2-methylpropyl(propan-2-yl)amino]methyl]cyclohexan-1-amine.
What is the SMILES notation for 4-tert-butyl-N-methyl-2-[[2-methylpropyl(propan-2-yl)amino]methyl]cyclohexan-1-amine?
The canonical SMILES for 4-tert-butyl-N-methyl-2-[[2-methylpropyl(propan-2-yl)amino]methyl]cyclohexan-1-amine is CNC1CCC(C(C)(C)C)CC1CN(CC(C)C)C(C)C.
What is the InChIKey of 4-tert-butyl-N-methyl-2-[[2-methylpropyl(propan-2-yl)amino]methyl]cyclohexan-1-amine?
The InChIKey is GHEOUQJIYXTJPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40N2/c1-14(2)12-21(15(3)4)13-16-11-17(19(5,6)7)9-10-18(16)20-8/h14-18,20H,9-13H2,1-8H3.
What are the key properties of 4-tert-butyl-N-methyl-2-[[2-methylpropyl(propan-2-yl)amino]methyl]cyclohexan-1-amine?
4-tert-butyl-N-methyl-2-[[2-methylpropyl(propan-2-yl)amino]methyl]cyclohexan-1-amine has a molecular weight of 296.54 g/mol, XLogP of 4.40, 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-[[2-methylpropyl(propan-2-yl)amino]methyl]cyclohexan-1-amine is sourced from PubChem (CID 63493941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).