4-tert-butyl-N-methyl-2-[(2-methylphenyl)methyl]cyclohexan-1-amine

C19H31N — CID 63401092

IUPAC4-tert-butyl-N-methyl-2-[(2-methylphenyl)methyl]cyclohexan-1-amine
SMILESCNC1CCC(C(C)(C)C)CC1Cc1ccccc1C
InChIInChI=1S/C19H31N/c1-14-8-6-7-9-15(14)12-16-13-17(19(2,3)4)10-11-18(16)20-5/h6-9,16-18,20H,10-13H2,1-5H3
InChIKeyNMZWSAVBMZBDOF-UHFFFAOYSA-N
MW273.46 g/mol
LogP4.59
Rot. Bonds3

About 4-tert-butyl-N-methyl-2-[(2-methylphenyl)methyl]cyclohexan-1-amine

4-tert-butyl-N-methyl-2-[(2-methylphenyl)methyl]cyclohexan-1-amine (PubChem CID 63401092) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is 4-tert-butyl-N-methyl-2-[(2-methylphenyl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-tert-butyl-N-methyl-2-[(2-methylphenyl)methyl]cyclohexan-1-amine
PubChem CID63401092
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC Name4-tert-butyl-N-methyl-2-[(2-methylphenyl)methyl]cyclohexan-1-amine
SMILESCNC1CCC(C(C)(C)C)CC1Cc1ccccc1C
InChIInChI=1S/C19H31N/c1-14-8-6-7-9-15(14)12-16-13-17(19(2,3)4)10-11-18(16)20-5/h6-9,16-18,20H,10-13H2,1-5H3
InChIKeyNMZWSAVBMZBDOF-UHFFFAOYSA-N
XLogP4.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.46
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-methyl-2-[(2-methylphenyl)methyl]cyclohexan-1-amine?
The IUPAC name of 4-tert-butyl-N-methyl-2-[(2-methylphenyl)methyl]cyclohexan-1-amine (CID 63401092) is 4-tert-butyl-N-methyl-2-[(2-methylphenyl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 4-tert-butyl-N-methyl-2-[(2-methylphenyl)methyl]cyclohexan-1-amine?
The canonical SMILES for 4-tert-butyl-N-methyl-2-[(2-methylphenyl)methyl]cyclohexan-1-amine is CNC1CCC(C(C)(C)C)CC1Cc1ccccc1C.
What is the InChIKey of 4-tert-butyl-N-methyl-2-[(2-methylphenyl)methyl]cyclohexan-1-amine?
The InChIKey is NMZWSAVBMZBDOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N/c1-14-8-6-7-9-15(14)12-16-13-17(19(2,3)4)10-11-18(16)20-5/h6-9,16-18,20H,10-13H2,1-5H3.
What are the key properties of 4-tert-butyl-N-methyl-2-[(2-methylphenyl)methyl]cyclohexan-1-amine?
4-tert-butyl-N-methyl-2-[(2-methylphenyl)methyl]cyclohexan-1-amine has a molecular weight of 273.46 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-methyl-2-[(2-methylphenyl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 63401092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).