1-N,3-N,3-N-triethylbenzene-1,3-diamine

C12H20N2 — CID 67930616

IUPAC1-N,3-N,3-N-triethylbenzene-1,3-diamine
SMILESCCNc1cccc(N(CC)CC)c1
InChIInChI=1S/C12H20N2/c1-4-13-11-8-7-9-12(10-11)14(5-2)6-3/h7-10,13H,4-6H2,1-3H3
InChIKeyXEOHXAGSQXJEMA-UHFFFAOYSA-N
MW192.31 g/mol
LogP2.96
Rot. Bonds5

About 1-N,3-N,3-N-triethylbenzene-1,3-diamine

1-N,3-N,3-N-triethylbenzene-1,3-diamine (PubChem CID 67930616) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 1-N,3-N,3-N-triethylbenzene-1,3-diamine.

Molecular Properties

Compound Name1-N,3-N,3-N-triethylbenzene-1,3-diamine
PubChem CID67930616
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name1-N,3-N,3-N-triethylbenzene-1,3-diamine
SMILESCCNc1cccc(N(CC)CC)c1
InChIInChI=1S/C12H20N2/c1-4-13-11-8-7-9-12(10-11)14(5-2)6-3/h7-10,13H,4-6H2,1-3H3
InChIKeyXEOHXAGSQXJEMA-UHFFFAOYSA-N
XLogP2.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-N,3-N,3-N-triethylbenzene-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(ethylamino)phenol
CID 578991
N-ethyl-3-[[3-(ethylamino)phenyl]diazenyl]aniline
CID 3777935
N'-ethyl-N-(3-fluorophenyl)-N'-(4-fluorophenyl)ethane-1,2-diamine
CID 63502191
N-ethyl-4-[tris[4-(diethylamino)phenyl]methyl]aniline
CID 59357333
N,N-diethylaniline
CID 7061
N-[3-(diethylamino)phenyl]furan-3-carboxamide
CID 124926206
(E)-N-[3-(diethylamino)phenyl]-2-phenylethenesulfonamide
CID 58752965
N'-ethyl-N'-(3-fluorophenyl)-N-(4-fluorophenyl)ethane-1,2-diamine
CID 63502026
N,N-diethyl-3-[2-(methylamino)ethyl]aniline
CID 96768537
calcium bis(3-(diethylamino)benzenesulfonate)
CID 102504056
2-[3-(diethylamino)phenyl]-2-methylpropan-1-ol
CID 117317098
ethane;N-ethyl-3-methoxyaniline
CID 142222302

Frequently Asked Questions

What is the IUPAC name of 1-N,3-N,3-N-triethylbenzene-1,3-diamine?
The IUPAC name of 1-N,3-N,3-N-triethylbenzene-1,3-diamine (CID 67930616) is 1-N,3-N,3-N-triethylbenzene-1,3-diamine.
What is the SMILES notation for 1-N,3-N,3-N-triethylbenzene-1,3-diamine?
The canonical SMILES for 1-N,3-N,3-N-triethylbenzene-1,3-diamine is CCNc1cccc(N(CC)CC)c1.
What is the InChIKey of 1-N,3-N,3-N-triethylbenzene-1,3-diamine?
The InChIKey is XEOHXAGSQXJEMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-4-13-11-8-7-9-12(10-11)14(5-2)6-3/h7-10,13H,4-6H2,1-3H3.
What are the key properties of 1-N,3-N,3-N-triethylbenzene-1,3-diamine?
1-N,3-N,3-N-triethylbenzene-1,3-diamine has a molecular weight of 192.31 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N,3-N-triethylbenzene-1,3-diamine is sourced from PubChem (CID 67930616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).