4-(N-ethyl-2-methylanilino)-2-methyl-2-(propylamino)pentanenitrile

C18H29N3 — CID 64699136

IUPAC4-(N-ethyl-2-methylanilino)-2-methyl-2-(propylamino)pentanenitrile
SMILESCCCNC(C)(C#N)CC(C)N(CC)c1ccccc1C
InChIInChI=1S/C18H29N3/c1-6-12-20-18(5,14-19)13-16(4)21(7-2)17-11-9-8-10-15(17)3/h8-11,16,20H,6-7,12-13H2,1-5H3
InChIKeySVCQOWLMUNESCC-UHFFFAOYSA-N
MW287.45 g/mol
LogP3.88
Rot. Bonds8

About 4-(N-ethyl-2-methylanilino)-2-methyl-2-(propylamino)pentanenitrile

4-(N-ethyl-2-methylanilino)-2-methyl-2-(propylamino)pentanenitrile (PubChem CID 64699136) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is 4-(N-ethyl-2-methylanilino)-2-methyl-2-(propylamino)pentanenitrile.

Molecular Properties

Compound Name4-(N-ethyl-2-methylanilino)-2-methyl-2-(propylamino)pentanenitrile
PubChem CID64699136
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC Name4-(N-ethyl-2-methylanilino)-2-methyl-2-(propylamino)pentanenitrile
SMILESCCCNC(C)(C#N)CC(C)N(CC)c1ccccc1C
InChIInChI=1S/C18H29N3/c1-6-12-20-18(5,14-19)13-16(4)21(7-2)17-11-9-8-10-15(17)3/h8-11,16,20H,6-7,12-13H2,1-5H3
InChIKeySVCQOWLMUNESCC-UHFFFAOYSA-N
XLogP3.88
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(N-ethyl-2-methylanilino)-2-methyl-2-(propylamino)pentanenitrile 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

2-(ethylamino)-4-(N-ethyl-2-methylanilino)-2-methylpentanenitrile
CID 64698769
4-(N-ethyl-2-methylanilino)-2-methyl-2-(methylamino)pentanenitrile
CID 64698950
4-(N-ethyl-2-methylanilino)-2-methyl-2-(propylamino)pentan-1-ol
CID 64790376
2-amino-4-(N-ethyl-2-methylanilino)-2-methylpentanenitrile
CID 64699137
2-methyl-4-(2-methylphenyl)sulfanyl-2-(propylamino)pentanenitrile
CID 64711154
2-methyl-4-phenoxy-2-(propylamino)pentanenitrile
CID 64725209
4-benzylsulfanyl-2-methyl-2-(propylamino)pentanenitrile
CID 64710160
4-[cyclopropyl(ethyl)amino]-2-methyl-2-(propylamino)pentanenitrile
CID 64727667
2-methyl-4-[pentyl(propan-2-yl)amino]-2-(propylamino)pentanenitrile
CID 64727095
4-(4-bromophenyl)sulfanyl-2-methyl-2-(propylamino)pentanenitrile
CID 64712096
2-methyl-4-(4-propan-2-ylphenyl)sulfanyl-2-(propylamino)pentanenitrile
CID 64711915
4-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(propylamino)pentanenitrile
CID 107401005

Frequently Asked Questions

What is the IUPAC name of 4-(N-ethyl-2-methylanilino)-2-methyl-2-(propylamino)pentanenitrile?
The IUPAC name of 4-(N-ethyl-2-methylanilino)-2-methyl-2-(propylamino)pentanenitrile (CID 64699136) is 4-(N-ethyl-2-methylanilino)-2-methyl-2-(propylamino)pentanenitrile.
What is the SMILES notation for 4-(N-ethyl-2-methylanilino)-2-methyl-2-(propylamino)pentanenitrile?
The canonical SMILES for 4-(N-ethyl-2-methylanilino)-2-methyl-2-(propylamino)pentanenitrile is CCCNC(C)(C#N)CC(C)N(CC)c1ccccc1C.
What is the InChIKey of 4-(N-ethyl-2-methylanilino)-2-methyl-2-(propylamino)pentanenitrile?
The InChIKey is SVCQOWLMUNESCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-6-12-20-18(5,14-19)13-16(4)21(7-2)17-11-9-8-10-15(17)3/h8-11,16,20H,6-7,12-13H2,1-5H3.
What are the key properties of 4-(N-ethyl-2-methylanilino)-2-methyl-2-(propylamino)pentanenitrile?
4-(N-ethyl-2-methylanilino)-2-methyl-2-(propylamino)pentanenitrile has a molecular weight of 287.45 g/mol, XLogP of 3.88, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(N-ethyl-2-methylanilino)-2-methyl-2-(propylamino)pentanenitrile is sourced from PubChem (CID 64699136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).