N-[[5-tert-butyl-2-(methylamino)cyclohexyl]methyl]-N-methylaniline

C19H32N2 — CID 63482857

IUPACN-[[5-tert-butyl-2-(methylamino)cyclohexyl]methyl]-N-methylaniline
SMILESCNC1CCC(C(C)(C)C)CC1CN(C)c1ccccc1
InChIInChI=1S/C19H32N2/c1-19(2,3)16-11-12-18(20-4)15(13-16)14-21(5)17-9-7-6-8-10-17/h6-10,15-16,18,20H,11-14H2,1-5H3
InChIKeyVXMCQYNPUKRLNO-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.17
Rot. Bonds4

About N-[[5-tert-butyl-2-(methylamino)cyclohexyl]methyl]-N-methylaniline

N-[[5-tert-butyl-2-(methylamino)cyclohexyl]methyl]-N-methylaniline (PubChem CID 63482857) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is N-[[5-tert-butyl-2-(methylamino)cyclohexyl]methyl]-N-methylaniline.

Molecular Properties

Compound NameN-[[5-tert-butyl-2-(methylamino)cyclohexyl]methyl]-N-methylaniline
PubChem CID63482857
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC NameN-[[5-tert-butyl-2-(methylamino)cyclohexyl]methyl]-N-methylaniline
SMILESCNC1CCC(C(C)(C)C)CC1CN(C)c1ccccc1
InChIInChI=1S/C19H32N2/c1-19(2,3)16-11-12-18(20-4)15(13-16)14-21(5)17-9-7-6-8-10-17/h6-10,15-16,18,20H,11-14H2,1-5H3
InChIKeyVXMCQYNPUKRLNO-UHFFFAOYSA-N
XLogP4.17
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 ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-tert-butyl-2-[[cyclohexyl(methyl)amino]methyl]-N-methylcyclohexan-1-amine
CID 63483791
4-tert-butyl-N-methyl-2-[(2-methylphenyl)methyl]cyclohexan-1-amine
CID 63401092
1-[[5-tert-butyl-2-(methylamino)cyclohexyl]methyl-methylamino]propan-2-ol
CID 62608989
4-tert-butyl-N-methyl-2-[[2-methylpropyl(propan-2-yl)amino]methyl]cyclohexan-1-amine
CID 63493941
4-tert-butyl-N-methyl-2-[[methyl(2-methylsulfanylethyl)amino]methyl]cyclohexan-1-amine
CID 112664680
4-tert-butyl-N-methyl-2-[[methyl(pentan-2-yl)amino]methyl]cyclohexan-1-amine
CID 63494004
2-butyl-4-tert-butyl-N-methylcyclohexan-1-amine
CID 63401093
2-[[butan-2-yl(ethyl)amino]methyl]-4-tert-butyl-N-methylcyclohexan-1-amine
CID 63483811
4-tert-butyl-2-[(3-fluorophenyl)methyl]-N-methylcyclohexan-1-amine
CID 63401443
4-tert-butyl-2-[(3,4-dimethylphenyl)methyl]-N-methylcyclohexan-1-amine
CID 63401757
4-tert-butyl-N-methyl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexan-1-amine
CID 64771322
2-[(3-bromothiophen-2-yl)methyl]-4-tert-butyl-N-methylcyclohexan-1-amine
CID 55188433

Frequently Asked Questions

What is the IUPAC name of N-[[5-tert-butyl-2-(methylamino)cyclohexyl]methyl]-N-methylaniline?
The IUPAC name of N-[[5-tert-butyl-2-(methylamino)cyclohexyl]methyl]-N-methylaniline (CID 63482857) is N-[[5-tert-butyl-2-(methylamino)cyclohexyl]methyl]-N-methylaniline.
What is the SMILES notation for N-[[5-tert-butyl-2-(methylamino)cyclohexyl]methyl]-N-methylaniline?
The canonical SMILES for N-[[5-tert-butyl-2-(methylamino)cyclohexyl]methyl]-N-methylaniline is CNC1CCC(C(C)(C)C)CC1CN(C)c1ccccc1.
What is the InChIKey of N-[[5-tert-butyl-2-(methylamino)cyclohexyl]methyl]-N-methylaniline?
The InChIKey is VXMCQYNPUKRLNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-19(2,3)16-11-12-18(20-4)15(13-16)14-21(5)17-9-7-6-8-10-17/h6-10,15-16,18,20H,11-14H2,1-5H3.
What are the key properties of N-[[5-tert-butyl-2-(methylamino)cyclohexyl]methyl]-N-methylaniline?
N-[[5-tert-butyl-2-(methylamino)cyclohexyl]methyl]-N-methylaniline has a molecular weight of 288.48 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-tert-butyl-2-(methylamino)cyclohexyl]methyl]-N-methylaniline is sourced from PubChem (CID 63482857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).