1-[(3,4-dimethylphenyl)-(methylamino)methyl]-N,N,4-trimethylcyclohexan-1-amine

C19H32N2 — CID 79061537

IUPAC1-[(3,4-dimethylphenyl)-(methylamino)methyl]-N,N,4-trimethylcyclohexan-1-amine
SMILESCNC(c1ccc(C)c(C)c1)C1(N(C)C)CCC(C)CC1
InChIInChI=1S/C19H32N2/c1-14-9-11-19(12-10-14,21(5)6)18(20-4)17-8-7-15(2)16(3)13-17/h7-8,13-14,18,20H,9-12H2,1-6H3
InChIKeyIMJGTEARLJYUPN-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.07
Rot. Bonds4

About 1-[(3,4-dimethylphenyl)-(methylamino)methyl]-N,N,4-trimethylcyclohexan-1-amine

1-[(3,4-dimethylphenyl)-(methylamino)methyl]-N,N,4-trimethylcyclohexan-1-amine (PubChem CID 79061537) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 1-[(3,4-dimethylphenyl)-(methylamino)methyl]-N,N,4-trimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[(3,4-dimethylphenyl)-(methylamino)methyl]-N,N,4-trimethylcyclohexan-1-amine
PubChem CID79061537
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Name1-[(3,4-dimethylphenyl)-(methylamino)methyl]-N,N,4-trimethylcyclohexan-1-amine
SMILESCNC(c1ccc(C)c(C)c1)C1(N(C)C)CCC(C)CC1
InChIInChI=1S/C19H32N2/c1-14-9-11-19(12-10-14,21(5)6)18(20-4)17-8-7-15(2)16(3)13-17/h7-8,13-14,18,20H,9-12H2,1-6H3
InChIKeyIMJGTEARLJYUPN-UHFFFAOYSA-N
XLogP4.07
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 ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dimethylphenyl)-(methylamino)methyl]-N,N,4-trimethylcyclohexan-1-amine?
The IUPAC name of 1-[(3,4-dimethylphenyl)-(methylamino)methyl]-N,N,4-trimethylcyclohexan-1-amine (CID 79061537) is 1-[(3,4-dimethylphenyl)-(methylamino)methyl]-N,N,4-trimethylcyclohexan-1-amine.
What is the SMILES notation for 1-[(3,4-dimethylphenyl)-(methylamino)methyl]-N,N,4-trimethylcyclohexan-1-amine?
The canonical SMILES for 1-[(3,4-dimethylphenyl)-(methylamino)methyl]-N,N,4-trimethylcyclohexan-1-amine is CNC(c1ccc(C)c(C)c1)C1(N(C)C)CCC(C)CC1.
What is the InChIKey of 1-[(3,4-dimethylphenyl)-(methylamino)methyl]-N,N,4-trimethylcyclohexan-1-amine?
The InChIKey is IMJGTEARLJYUPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-14-9-11-19(12-10-14,21(5)6)18(20-4)17-8-7-15(2)16(3)13-17/h7-8,13-14,18,20H,9-12H2,1-6H3.
What are the key properties of 1-[(3,4-dimethylphenyl)-(methylamino)methyl]-N,N,4-trimethylcyclohexan-1-amine?
1-[(3,4-dimethylphenyl)-(methylamino)methyl]-N,N,4-trimethylcyclohexan-1-amine has a molecular weight of 288.48 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dimethylphenyl)-(methylamino)methyl]-N,N,4-trimethylcyclohexan-1-amine is sourced from PubChem (CID 79061537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).