N'-(cyclohexen-1-ylmethyl)-N'-[(3-ethylphenyl)methyl]-N,N-dimethylethane-1,2-diamine;ethane

C22H38N2 — CID 143169947

IUPACN'-(cyclohexen-1-ylmethyl)-N'-[(3-ethylphenyl)methyl]-N,N-dimethylethane-1,2-diamine;ethane
SMILESCC.CCc1cccc(CN(CCN(C)C)CC2=CCCCC2)c1
InChIInChI=1S/C20H32N2.C2H6/c1-4-18-11-8-12-20(15-18)17-22(14-13-21(2)3)16-19-9-6-5-7-10-19;1-2/h8-9,11-12,15H,4-7,10,13-14,16-17H2,1-3H3;1-2H3
InChIKeyJTWFUMGCNAGBPP-UHFFFAOYSA-N
MW330.56 g/mol
LogP5.14
Rot. Bonds8

About N'-(cyclohexen-1-ylmethyl)-N'-[(3-ethylphenyl)methyl]-N,N-dimethylethane-1,2-diamine;ethane

N'-(cyclohexen-1-ylmethyl)-N'-[(3-ethylphenyl)methyl]-N,N-dimethylethane-1,2-diamine;ethane (PubChem CID 143169947) has the molecular formula C22H38N2 and a molecular weight of 330.56 g/mol. Its IUPAC name is N'-(cyclohexen-1-ylmethyl)-N'-[(3-ethylphenyl)methyl]-N,N-dimethylethane-1,2-diamine;ethane.

Molecular Properties

Compound NameN'-(cyclohexen-1-ylmethyl)-N'-[(3-ethylphenyl)methyl]-N,N-dimethylethane-1,2-diamine;ethane
PubChem CID143169947
Molecular FormulaC22H38N2
Molecular Weight330.56 g/mol
Exact Mass330.30
IUPAC NameN'-(cyclohexen-1-ylmethyl)-N'-[(3-ethylphenyl)methyl]-N,N-dimethylethane-1,2-diamine;ethane
SMILESCC.CCc1cccc(CN(CCN(C)C)CC2=CCCCC2)c1
InChIInChI=1S/C20H32N2.C2H6/c1-4-18-11-8-12-20(15-18)17-22(14-13-21(2)3)16-19-9-6-5-7-10-19;1-2/h8-9,11-12,15H,4-7,10,13-14,16-17H2,1-3H3;1-2H3
InChIKeyJTWFUMGCNAGBPP-UHFFFAOYSA-N
XLogP5.14
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.56
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N'-benzyl-N'-[(3-ethylphenyl)methyl]-N,N-dimethylethane-1,2-diamine;butane;ethane
CID 143170387
N'-[(2,6-dichlorophenyl)methyl]-N'-[(3-ethylphenyl)methyl]-N,N-dimethylethane-1,2-diamine
CID 70827284
N'-[(3-ethylphenyl)methyl]-N,N-dimethyl-N'-(2-phenylethyl)ethane-1,2-diamine
CID 70827105
N'-[(3-ethylphenyl)methyl]-N,N-dimethyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 70827126
2-[[2-(dimethylamino)ethyl-[(3-ethylphenyl)methyl]amino]methyl]benzonitrile;ethane
CID 143170148
N'-[(2-ethylphenyl)methyl]-N,N-dimethyl-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine
CID 70827104
N-benzyl-N-[(3-ethylphenyl)methyl]-2-pyrrolidin-1-ylethanamine;ethane
CID 143170220
N-benzyl-N-[(3-ethylphenyl)methyl]-2-pyrrolidin-1-ylethanamine
CID 143169976
butane;2-[[2-(dimethylamino)ethyl-[(3-ethylphenyl)methyl]amino]methyl]-3-fluorophenol;ethane
CID 143170289
N-benzyl-N-[(3-ethylphenyl)methyl]-2-piperidin-1-ylethanamine;ethane
CID 143170210
N'-[(4-fluorophenyl)methyl]-N,N-dimethyl-N'-[[3-(2-methylpropyl)phenyl]methyl]ethane-1,2-diamine
CID 58598136
2-(cyclohexen-1-yl)-1-(3-ethylphenyl)ethanone
CID 116659787

Frequently Asked Questions

What is the IUPAC name of N'-(cyclohexen-1-ylmethyl)-N'-[(3-ethylphenyl)methyl]-N,N-dimethylethane-1,2-diamine;ethane?
The IUPAC name of N'-(cyclohexen-1-ylmethyl)-N'-[(3-ethylphenyl)methyl]-N,N-dimethylethane-1,2-diamine;ethane (CID 143169947) is N'-(cyclohexen-1-ylmethyl)-N'-[(3-ethylphenyl)methyl]-N,N-dimethylethane-1,2-diamine;ethane.
What is the SMILES notation for N'-(cyclohexen-1-ylmethyl)-N'-[(3-ethylphenyl)methyl]-N,N-dimethylethane-1,2-diamine;ethane?
The canonical SMILES for N'-(cyclohexen-1-ylmethyl)-N'-[(3-ethylphenyl)methyl]-N,N-dimethylethane-1,2-diamine;ethane is CC.CCc1cccc(CN(CCN(C)C)CC2=CCCCC2)c1.
What is the InChIKey of N'-(cyclohexen-1-ylmethyl)-N'-[(3-ethylphenyl)methyl]-N,N-dimethylethane-1,2-diamine;ethane?
The InChIKey is JTWFUMGCNAGBPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2.C2H6/c1-4-18-11-8-12-20(15-18)17-22(14-13-21(2)3)16-19-9-6-5-7-10-19;1-2/h8-9,11-12,15H,4-7,10,13-14,16-17H2,1-3H3;1-2H3.
What are the key properties of N'-(cyclohexen-1-ylmethyl)-N'-[(3-ethylphenyl)methyl]-N,N-dimethylethane-1,2-diamine;ethane?
N'-(cyclohexen-1-ylmethyl)-N'-[(3-ethylphenyl)methyl]-N,N-dimethylethane-1,2-diamine;ethane has a molecular weight of 330.56 g/mol, XLogP of 5.14, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cyclohexen-1-ylmethyl)-N'-[(3-ethylphenyl)methyl]-N,N-dimethylethane-1,2-diamine;ethane is sourced from PubChem (CID 143169947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).