N'-(3,4-dimethylphenyl)-N,N,N'-trimethylethane-1,2-diamine;ethane

C15H28N2 — CID 144693045

IUPACN'-(3,4-dimethylphenyl)-N,N,N'-trimethylethane-1,2-diamine;ethane
SMILESCC.Cc1ccc(N(C)CCN(C)C)cc1C
InChIInChI=1S/C13H22N2.C2H6/c1-11-6-7-13(10-12(11)2)15(5)9-8-14(3)4;1-2/h6-7,10H,8-9H2,1-5H3;1-2H3
InChIKeyGNVDYBWZCLMYQR-UHFFFAOYSA-N
MW236.40 g/mol
LogP3.33
Rot. Bonds4

About N'-(3,4-dimethylphenyl)-N,N,N'-trimethylethane-1,2-diamine;ethane

N'-(3,4-dimethylphenyl)-N,N,N'-trimethylethane-1,2-diamine;ethane (PubChem CID 144693045) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is N'-(3,4-dimethylphenyl)-N,N,N'-trimethylethane-1,2-diamine;ethane.

Molecular Properties

Compound NameN'-(3,4-dimethylphenyl)-N,N,N'-trimethylethane-1,2-diamine;ethane
PubChem CID144693045
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC NameN'-(3,4-dimethylphenyl)-N,N,N'-trimethylethane-1,2-diamine;ethane
SMILESCC.Cc1ccc(N(C)CCN(C)C)cc1C
InChIInChI=1S/C13H22N2.C2H6/c1-11-6-7-13(10-12(11)2)15(5)9-8-14(3)4;1-2/h6-7,10H,8-9H2,1-5H3;1-2H3
InChIKeyGNVDYBWZCLMYQR-UHFFFAOYSA-N
XLogP3.33
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N'-[4-(bromomethyl)-3-methylphenyl]-N,N,N'-trimethylethane-1,2-diamine
CID 107083669
N-(bromomethyl)-N,3,4-trimethylaniline
CID 115261662
N'-[4-(2-aminoethyl)-3-methylphenyl]-N,N,N'-trimethylethane-1,2-diamine
CID 63783958
N'-[3-(difluoromethoxy)-4-methylphenyl]-N,N,N'-trimethylethane-1,2-diamine;ethane
CID 144693010
N'-(3,4-dimethylphenyl)-N',2-dimethylbutane-1,4-diamine
CID 115203033
N'-(3,4-dimethylphenyl)-N',2,2-trimethylbutane-1,4-diamine
CID 115204769
N,N,3,4-tetramethylaniline
CID 12595466
1-N-[3-(dimethylamino)propyl]-1-N,4-dimethylbenzene-1,3-diamine
CID 63694283
ethane;N,N,N'-trimethyl-N'-phenylethane-1,2-diamine
CID 177320801
ethane;2-(3-methoxy-N,4-dimethylanilino)ethanol
CID 144692969
N-(3,4-dimethylphenyl)-3,4-dimethyl-N-(4-methylphenyl)aniline;ethane
CID 143481987
N,3,4-trimethyl-N-propan-2-ylaniline
CID 117043839

Frequently Asked Questions

What is the IUPAC name of N'-(3,4-dimethylphenyl)-N,N,N'-trimethylethane-1,2-diamine;ethane?
The IUPAC name of N'-(3,4-dimethylphenyl)-N,N,N'-trimethylethane-1,2-diamine;ethane (CID 144693045) is N'-(3,4-dimethylphenyl)-N,N,N'-trimethylethane-1,2-diamine;ethane.
What is the SMILES notation for N'-(3,4-dimethylphenyl)-N,N,N'-trimethylethane-1,2-diamine;ethane?
The canonical SMILES for N'-(3,4-dimethylphenyl)-N,N,N'-trimethylethane-1,2-diamine;ethane is CC.Cc1ccc(N(C)CCN(C)C)cc1C.
What is the InChIKey of N'-(3,4-dimethylphenyl)-N,N,N'-trimethylethane-1,2-diamine;ethane?
The InChIKey is GNVDYBWZCLMYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2.C2H6/c1-11-6-7-13(10-12(11)2)15(5)9-8-14(3)4;1-2/h6-7,10H,8-9H2,1-5H3;1-2H3.
What are the key properties of N'-(3,4-dimethylphenyl)-N,N,N'-trimethylethane-1,2-diamine;ethane?
N'-(3,4-dimethylphenyl)-N,N,N'-trimethylethane-1,2-diamine;ethane has a molecular weight of 236.40 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,4-dimethylphenyl)-N,N,N'-trimethylethane-1,2-diamine;ethane is sourced from PubChem (CID 144693045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).