N-[[4,4-dimethyl-2-(2-methylphenyl)cyclohexyl]methyl]-2-methylpropan-2-amine

C20H33N — CID 81023531

IUPACN-[[4,4-dimethyl-2-(2-methylphenyl)cyclohexyl]methyl]-2-methylpropan-2-amine
SMILESCc1ccccc1C1CC(C)(C)CCC1CNC(C)(C)C
InChIInChI=1S/C20H33N/c1-15-9-7-8-10-17(15)18-13-20(5,6)12-11-16(18)14-21-19(2,3)4/h7-10,16,18,21H,11-14H2,1-6H3
InChIKeyKZGHLLRTFDGIRM-UHFFFAOYSA-N
MW287.49 g/mol
LogP5.29
Rot. Bonds3

About N-[[4,4-dimethyl-2-(2-methylphenyl)cyclohexyl]methyl]-2-methylpropan-2-amine

N-[[4,4-dimethyl-2-(2-methylphenyl)cyclohexyl]methyl]-2-methylpropan-2-amine (PubChem CID 81023531) has the molecular formula C20H33N and a molecular weight of 287.49 g/mol. Its IUPAC name is N-[[4,4-dimethyl-2-(2-methylphenyl)cyclohexyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[4,4-dimethyl-2-(2-methylphenyl)cyclohexyl]methyl]-2-methylpropan-2-amine
PubChem CID81023531
Molecular FormulaC20H33N
Molecular Weight287.49 g/mol
Exact Mass287.26
IUPAC NameN-[[4,4-dimethyl-2-(2-methylphenyl)cyclohexyl]methyl]-2-methylpropan-2-amine
SMILESCc1ccccc1C1CC(C)(C)CCC1CNC(C)(C)C
InChIInChI=1S/C20H33N/c1-15-9-7-8-10-17(15)18-13-20(5,6)12-11-16(18)14-21-19(2,3)4/h7-10,16,18,21H,11-14H2,1-6H3
InChIKeyKZGHLLRTFDGIRM-UHFFFAOYSA-N
XLogP5.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.49
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[[4,4-dimethyl-2-(2-methylphenyl)cyclohexyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[4,4-dimethyl-2-(2-methylphenyl)cyclohexyl]methyl]-2-methylpropan-2-amine (CID 81023531) is N-[[4,4-dimethyl-2-(2-methylphenyl)cyclohexyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[4,4-dimethyl-2-(2-methylphenyl)cyclohexyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[4,4-dimethyl-2-(2-methylphenyl)cyclohexyl]methyl]-2-methylpropan-2-amine is Cc1ccccc1C1CC(C)(C)CCC1CNC(C)(C)C.
What is the InChIKey of N-[[4,4-dimethyl-2-(2-methylphenyl)cyclohexyl]methyl]-2-methylpropan-2-amine?
The InChIKey is KZGHLLRTFDGIRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N/c1-15-9-7-8-10-17(15)18-13-20(5,6)12-11-16(18)14-21-19(2,3)4/h7-10,16,18,21H,11-14H2,1-6H3.
What are the key properties of N-[[4,4-dimethyl-2-(2-methylphenyl)cyclohexyl]methyl]-2-methylpropan-2-amine?
N-[[4,4-dimethyl-2-(2-methylphenyl)cyclohexyl]methyl]-2-methylpropan-2-amine has a molecular weight of 287.49 g/mol, XLogP of 5.29, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4,4-dimethyl-2-(2-methylphenyl)cyclohexyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 81023531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).