2-[(tert-butylamino)methyl]-N-methyl-N-(2-methylcyclohexyl)aniline

C19H32N2 — CID 63551947

IUPAC2-[(tert-butylamino)methyl]-N-methyl-N-(2-methylcyclohexyl)aniline
SMILESCC1CCCCC1N(C)c1ccccc1CNC(C)(C)C
InChIInChI=1S/C19H32N2/c1-15-10-6-8-12-17(15)21(5)18-13-9-7-11-16(18)14-20-19(2,3)4/h7,9,11,13,15,17,20H,6,8,10,12,14H2,1-5H3
InChIKeyDDRBZXOAYSGSEQ-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.59
Rot. Bonds4

About 2-[(tert-butylamino)methyl]-N-methyl-N-(2-methylcyclohexyl)aniline

2-[(tert-butylamino)methyl]-N-methyl-N-(2-methylcyclohexyl)aniline (PubChem CID 63551947) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 2-[(tert-butylamino)methyl]-N-methyl-N-(2-methylcyclohexyl)aniline.

Molecular Properties

Compound Name2-[(tert-butylamino)methyl]-N-methyl-N-(2-methylcyclohexyl)aniline
PubChem CID63551947
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Name2-[(tert-butylamino)methyl]-N-methyl-N-(2-methylcyclohexyl)aniline
SMILESCC1CCCCC1N(C)c1ccccc1CNC(C)(C)C
InChIInChI=1S/C19H32N2/c1-15-10-6-8-12-17(15)21(5)18-13-9-7-11-16(18)14-20-19(2,3)4/h7,9,11,13,15,17,20H,6,8,10,12,14H2,1-5H3
InChIKeyDDRBZXOAYSGSEQ-UHFFFAOYSA-N
XLogP4.59
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(tert-butylamino)methyl]-N-methyl-N-(2-methylcyclohexyl)aniline with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(tert-butylamino)methyl]-N-methyl-N-(2-methylcyclohexyl)aniline?
The IUPAC name of 2-[(tert-butylamino)methyl]-N-methyl-N-(2-methylcyclohexyl)aniline (CID 63551947) is 2-[(tert-butylamino)methyl]-N-methyl-N-(2-methylcyclohexyl)aniline.
What is the SMILES notation for 2-[(tert-butylamino)methyl]-N-methyl-N-(2-methylcyclohexyl)aniline?
The canonical SMILES for 2-[(tert-butylamino)methyl]-N-methyl-N-(2-methylcyclohexyl)aniline is CC1CCCCC1N(C)c1ccccc1CNC(C)(C)C.
What is the InChIKey of 2-[(tert-butylamino)methyl]-N-methyl-N-(2-methylcyclohexyl)aniline?
The InChIKey is DDRBZXOAYSGSEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-15-10-6-8-12-17(15)21(5)18-13-9-7-11-16(18)14-20-19(2,3)4/h7,9,11,13,15,17,20H,6,8,10,12,14H2,1-5H3.
What are the key properties of 2-[(tert-butylamino)methyl]-N-methyl-N-(2-methylcyclohexyl)aniline?
2-[(tert-butylamino)methyl]-N-methyl-N-(2-methylcyclohexyl)aniline has a molecular weight of 288.48 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(tert-butylamino)methyl]-N-methyl-N-(2-methylcyclohexyl)aniline is sourced from PubChem (CID 63551947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).