4-(N-ethyl-3-methylanilino)-2-(propan-2-ylamino)butanenitrile

C16H25N3 — CID 63030054

IUPAC4-(N-ethyl-3-methylanilino)-2-(propan-2-ylamino)butanenitrile
SMILESCCN(CCC(C#N)NC(C)C)c1cccc(C)c1
InChIInChI=1S/C16H25N3/c1-5-19(16-8-6-7-14(4)11-16)10-9-15(12-17)18-13(2)3/h6-8,11,13,15,18H,5,9-10H2,1-4H3
InChIKeyJFJCYAHXNKGLJZ-UHFFFAOYSA-N
MW259.40 g/mol
LogP3.10
Rot. Bonds7

About 4-(N-ethyl-3-methylanilino)-2-(propan-2-ylamino)butanenitrile

4-(N-ethyl-3-methylanilino)-2-(propan-2-ylamino)butanenitrile (PubChem CID 63030054) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 4-(N-ethyl-3-methylanilino)-2-(propan-2-ylamino)butanenitrile.

Molecular Properties

Compound Name4-(N-ethyl-3-methylanilino)-2-(propan-2-ylamino)butanenitrile
PubChem CID63030054
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name4-(N-ethyl-3-methylanilino)-2-(propan-2-ylamino)butanenitrile
SMILESCCN(CCC(C#N)NC(C)C)c1cccc(C)c1
InChIInChI=1S/C16H25N3/c1-5-19(16-8-6-7-14(4)11-16)10-9-15(12-17)18-13(2)3/h6-8,11,13,15,18H,5,9-10H2,1-4H3
InChIKeyJFJCYAHXNKGLJZ-UHFFFAOYSA-N
XLogP3.10
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(N-ethyl-3-methylanilino)-2-(propan-2-ylamino)butanenitrile 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-(N-ethyl-3-fluoroanilino)-2-(methylamino)butanenitrile
CID 63027932
N'-ethyl-N'-(3-methylphenyl)-N-propan-2-ylethane-1,2-diamine
CID 20811771
4-(N-butylanilino)-2-(propan-2-ylamino)butanenitrile
CID 64586585
4-(N-ethyl-3-fluoroanilino)-2-(propylamino)butanenitrile
CID 63028114
N,N'-diethyl-N,N'-bis(3-methylphenyl)propane-1,3-diamine
CID 57172568
1-N-ethyl-1-N-(3-methylphenyl)-4-N-propylhexane-1,4-diamine
CID 106799445
N,N'-diethyl-N,N'-bis(3-methylphenyl)hexane-1,6-diamine
CID 91719494
N-butan-2-yl-N'-ethyl-N'-(3-methylphenyl)ethane-1,2-diamine
CID 61077133
1-(N-ethyl-3-methylanilino)-4,4-dimethylpentan-3-ol
CID 62623748
ethane;2-(N-ethyl-3-methylanilino)ethanol
CID 142945476
CID 138691667
CID 138691667
N-[2-(1-ethoxyethoxy)ethyl]-N-ethyl-3-methylaniline
CID 131710840

Frequently Asked Questions

What is the IUPAC name of 4-(N-ethyl-3-methylanilino)-2-(propan-2-ylamino)butanenitrile?
The IUPAC name of 4-(N-ethyl-3-methylanilino)-2-(propan-2-ylamino)butanenitrile (CID 63030054) is 4-(N-ethyl-3-methylanilino)-2-(propan-2-ylamino)butanenitrile.
What is the SMILES notation for 4-(N-ethyl-3-methylanilino)-2-(propan-2-ylamino)butanenitrile?
The canonical SMILES for 4-(N-ethyl-3-methylanilino)-2-(propan-2-ylamino)butanenitrile is CCN(CCC(C#N)NC(C)C)c1cccc(C)c1.
What is the InChIKey of 4-(N-ethyl-3-methylanilino)-2-(propan-2-ylamino)butanenitrile?
The InChIKey is JFJCYAHXNKGLJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-5-19(16-8-6-7-14(4)11-16)10-9-15(12-17)18-13(2)3/h6-8,11,13,15,18H,5,9-10H2,1-4H3.
What are the key properties of 4-(N-ethyl-3-methylanilino)-2-(propan-2-ylamino)butanenitrile?
4-(N-ethyl-3-methylanilino)-2-(propan-2-ylamino)butanenitrile has a molecular weight of 259.40 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(N-ethyl-3-methylanilino)-2-(propan-2-ylamino)butanenitrile is sourced from PubChem (CID 63030054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).