4-[1-[2-[methyl(propan-2-yl)amino]ethylamino]ethyl]benzonitrile

C15H23N3 — CID 55097943

IUPAC4-[1-[2-[methyl(propan-2-yl)amino]ethylamino]ethyl]benzonitrile
SMILESCC(NCCN(C)C(C)C)c1ccc(C#N)cc1
InChIInChI=1S/C15H23N3/c1-12(2)18(4)10-9-17-13(3)15-7-5-14(11-16)6-8-15/h5-8,12-13,17H,9-10H2,1-4H3
InChIKeyORDGWPPXELSHEJ-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.55
Rot. Bonds6

About 4-[1-[2-[methyl(propan-2-yl)amino]ethylamino]ethyl]benzonitrile

4-[1-[2-[methyl(propan-2-yl)amino]ethylamino]ethyl]benzonitrile (PubChem CID 55097943) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 4-[1-[2-[methyl(propan-2-yl)amino]ethylamino]ethyl]benzonitrile.

Molecular Properties

Compound Name4-[1-[2-[methyl(propan-2-yl)amino]ethylamino]ethyl]benzonitrile
PubChem CID55097943
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name4-[1-[2-[methyl(propan-2-yl)amino]ethylamino]ethyl]benzonitrile
SMILESCC(NCCN(C)C(C)C)c1ccc(C#N)cc1
InChIInChI=1S/C15H23N3/c1-12(2)18(4)10-9-17-13(3)15-7-5-14(11-16)6-8-15/h5-8,12-13,17H,9-10H2,1-4H3
InChIKeyORDGWPPXELSHEJ-UHFFFAOYSA-N
XLogP2.55
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[1-[2-[methyl(propan-2-yl)amino]ethylamino]ethyl]benzonitrile 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

4-[1-[2-[butan-2-yl(methyl)amino]ethylamino]ethyl]benzonitrile
CID 103921220
N-[1-[4-(dimethylamino)phenyl]ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 62635758
N-[1-(4-bromophenyl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 62636249
tert-butyl N-[2-[1-(4-cyanophenyl)ethylamino]ethyl]-N-methylcarbamate
CID 103921202
N'-methyl-N-[1-(4-nitrophenyl)ethyl]-N'-propan-2-ylethane-1,2-diamine
CID 62635051
4-[1-(2-ethoxyethylamino)ethyl]benzonitrile
CID 43590856
3-[1-(4-cyanophenyl)ethylamino]-N,N-dimethylpropanamide
CID 54934619
4-[1-(5-methylhexylamino)ethyl]benzonitrile
CID 79040522
N-[1-(3,4-dichlorophenyl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 55097372
N-[1-(4-butylphenyl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 63478035
5-[1-[2-[methyl(propan-2-yl)amino]ethylamino]ethyl]benzene-1,3-diol
CID 107706480
2-[1-(4-cyanophenyl)ethylamino]ethyl carbamate
CID 83209725

Frequently Asked Questions

What is the IUPAC name of 4-[1-[2-[methyl(propan-2-yl)amino]ethylamino]ethyl]benzonitrile?
The IUPAC name of 4-[1-[2-[methyl(propan-2-yl)amino]ethylamino]ethyl]benzonitrile (CID 55097943) is 4-[1-[2-[methyl(propan-2-yl)amino]ethylamino]ethyl]benzonitrile.
What is the SMILES notation for 4-[1-[2-[methyl(propan-2-yl)amino]ethylamino]ethyl]benzonitrile?
The canonical SMILES for 4-[1-[2-[methyl(propan-2-yl)amino]ethylamino]ethyl]benzonitrile is CC(NCCN(C)C(C)C)c1ccc(C#N)cc1.
What is the InChIKey of 4-[1-[2-[methyl(propan-2-yl)amino]ethylamino]ethyl]benzonitrile?
The InChIKey is ORDGWPPXELSHEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-12(2)18(4)10-9-17-13(3)15-7-5-14(11-16)6-8-15/h5-8,12-13,17H,9-10H2,1-4H3.
What are the key properties of 4-[1-[2-[methyl(propan-2-yl)amino]ethylamino]ethyl]benzonitrile?
4-[1-[2-[methyl(propan-2-yl)amino]ethylamino]ethyl]benzonitrile has a molecular weight of 245.37 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[2-[methyl(propan-2-yl)amino]ethylamino]ethyl]benzonitrile is sourced from PubChem (CID 55097943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).