1-(2,4-dimethylphenyl)-N,N'-dimethyl-N'-(2-methylcyclohexyl)ethane-1,2-diamine

C19H32N2 — CID 63468718

IUPAC1-(2,4-dimethylphenyl)-N,N'-dimethyl-N'-(2-methylcyclohexyl)ethane-1,2-diamine
SMILESCNC(CN(C)C1CCCCC1C)c1ccc(C)cc1C
InChIInChI=1S/C19H32N2/c1-14-10-11-17(16(3)12-14)18(20-4)13-21(5)19-9-7-6-8-15(19)2/h10-12,15,18-20H,6-9,13H2,1-5H3
InChIKeyBBAHZBNADFMWKR-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.07
Rot. Bonds5

About 1-(2,4-dimethylphenyl)-N,N'-dimethyl-N'-(2-methylcyclohexyl)ethane-1,2-diamine

1-(2,4-dimethylphenyl)-N,N'-dimethyl-N'-(2-methylcyclohexyl)ethane-1,2-diamine (PubChem CID 63468718) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-N,N'-dimethyl-N'-(2-methylcyclohexyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-N,N'-dimethyl-N'-(2-methylcyclohexyl)ethane-1,2-diamine
PubChem CID63468718
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Name1-(2,4-dimethylphenyl)-N,N'-dimethyl-N'-(2-methylcyclohexyl)ethane-1,2-diamine
SMILESCNC(CN(C)C1CCCCC1C)c1ccc(C)cc1C
InChIInChI=1S/C19H32N2/c1-14-10-11-17(16(3)12-14)18(20-4)13-21(5)19-9-7-6-8-15(19)2/h10-12,15,18-20H,6-9,13H2,1-5H3
InChIKeyBBAHZBNADFMWKR-UHFFFAOYSA-N
XLogP4.07
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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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Related Compounds

1-(2,4-dimethylphenyl)-N,N'-dimethyl-N'-(3-methylcyclohexyl)ethane-1,2-diamine
CID 63468141
3-cyclopentyl-1-(2,4-dimethylphenyl)-N-methylpropan-1-amine
CID 43482676
1-N,2-N-dimethyl-1-N-(2-methylcyclohexyl)butane-1,2-diamine
CID 62040568
1-(2,4-dimethylphenyl)-N-methyl-2-(3-methylcyclohexyl)sulfinylethanamine
CID 64659368
1-(2,4-dimethylphenyl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)-N-methylethanamine
CID 83227091
N,N',2-trimethyl-N'-(2-methylcyclohexyl)-1-phenylpropane-1,3-diamine
CID 62618953
1-[bromo-(2-methylcyclopentyl)methyl]-2,4-dimethylbenzene
CID 107182184
1-(2,4-dimethylphenyl)-2-(2,5-dimethylphenyl)-N-methylethanamine
CID 63508884
1-(4-fluorophenyl)-N,N'-dimethyl-N'-(2-methylcyclohexyl)propane-1,3-diamine
CID 62644190
1-(2,4-dimethylphenyl)-1-(2-ethylcyclohexyl)-N-methylmethanamine
CID 115862504
2-cyclopentyl-1-(2,4-dimethylphenyl)ethanamine
CID 43825536
N'-cyclopropyl-1-(2,4-dimethylphenyl)-N'-propylethane-1,2-diamine
CID 43270354

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-N,N'-dimethyl-N'-(2-methylcyclohexyl)ethane-1,2-diamine?
The IUPAC name of 1-(2,4-dimethylphenyl)-N,N'-dimethyl-N'-(2-methylcyclohexyl)ethane-1,2-diamine (CID 63468718) is 1-(2,4-dimethylphenyl)-N,N'-dimethyl-N'-(2-methylcyclohexyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-N,N'-dimethyl-N'-(2-methylcyclohexyl)ethane-1,2-diamine?
The canonical SMILES for 1-(2,4-dimethylphenyl)-N,N'-dimethyl-N'-(2-methylcyclohexyl)ethane-1,2-diamine is CNC(CN(C)C1CCCCC1C)c1ccc(C)cc1C.
What is the InChIKey of 1-(2,4-dimethylphenyl)-N,N'-dimethyl-N'-(2-methylcyclohexyl)ethane-1,2-diamine?
The InChIKey is BBAHZBNADFMWKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-14-10-11-17(16(3)12-14)18(20-4)13-21(5)19-9-7-6-8-15(19)2/h10-12,15,18-20H,6-9,13H2,1-5H3.
What are the key properties of 1-(2,4-dimethylphenyl)-N,N'-dimethyl-N'-(2-methylcyclohexyl)ethane-1,2-diamine?
1-(2,4-dimethylphenyl)-N,N'-dimethyl-N'-(2-methylcyclohexyl)ethane-1,2-diamine has a molecular weight of 288.48 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-N,N'-dimethyl-N'-(2-methylcyclohexyl)ethane-1,2-diamine is sourced from PubChem (CID 63468718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).