4-[3,3-dimethylbutan-2-yl(methyl)amino]-2-(propylamino)butanenitrile

C14H29N3 — CID 63029476

IUPAC4-[3,3-dimethylbutan-2-yl(methyl)amino]-2-(propylamino)butanenitrile
SMILESCCCNC(C#N)CCN(C)C(C)C(C)(C)C
InChIInChI=1S/C14H29N3/c1-7-9-16-13(11-15)8-10-17(6)12(2)14(3,4)5/h12-13,16H,7-10H2,1-6H3
InChIKeyFJLMLXRYHPZTQY-UHFFFAOYSA-N
MW239.41 g/mol
LogP2.63
Rot. Bonds7

About 4-[3,3-dimethylbutan-2-yl(methyl)amino]-2-(propylamino)butanenitrile

4-[3,3-dimethylbutan-2-yl(methyl)amino]-2-(propylamino)butanenitrile (PubChem CID 63029476) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is 4-[3,3-dimethylbutan-2-yl(methyl)amino]-2-(propylamino)butanenitrile.

Molecular Properties

Compound Name4-[3,3-dimethylbutan-2-yl(methyl)amino]-2-(propylamino)butanenitrile
PubChem CID63029476
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC Name4-[3,3-dimethylbutan-2-yl(methyl)amino]-2-(propylamino)butanenitrile
SMILESCCCNC(C#N)CCN(C)C(C)C(C)(C)C
InChIInChI=1S/C14H29N3/c1-7-9-16-13(11-15)8-10-17(6)12(2)14(3,4)5/h12-13,16H,7-10H2,1-6H3
InChIKeyFJLMLXRYHPZTQY-UHFFFAOYSA-N
XLogP2.63
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.41
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[3,3-dimethylbutan-2-yl(methyl)amino]-2-(propylamino)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-[3,3-dimethylbutan-2-yl(methyl)amino]-2-(ethylamino)butanenitrile
CID 63029281
4-[bis(3-methylbutyl)amino]-2-(propylamino)butanenitrile
CID 107870915
methyl 4-[3,3-dimethylbutan-2-yl(methyl)amino]-2-(propylamino)butanoate
CID 55143734
4-[ethyl(2-methylbutyl)amino]-2-(propylamino)butanenitrile
CID 79481322
4-[(2-methylpropan-2-yl)oxy]-2-(propylamino)butanenitrile
CID 63028202
1-N-(3,3-dimethylbutan-2-yl)-3-methoxy-1-N-methyl-2-N-propylpropane-1,2-diamine
CID 107505584
4-[cycloheptyl(methyl)amino]-2-(propylamino)butanenitrile
CID 63027524
4-(3-methylbutoxy)-2-(propylamino)butanenitrile
CID 63029560
4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-2-(propylamino)butanenitrile
CID 63236525
4-[methyl-(3-methylcyclohexyl)amino]-2-(propylamino)butanenitrile
CID 63028319
2-(propylamino)-4-(1,1,1-trifluoropropan-2-yloxy)butanenitrile
CID 66277224
4-(4-propan-2-ylpiperidin-1-yl)-2-(propylamino)butanenitrile
CID 103501849

Frequently Asked Questions

What is the IUPAC name of 4-[3,3-dimethylbutan-2-yl(methyl)amino]-2-(propylamino)butanenitrile?
The IUPAC name of 4-[3,3-dimethylbutan-2-yl(methyl)amino]-2-(propylamino)butanenitrile (CID 63029476) is 4-[3,3-dimethylbutan-2-yl(methyl)amino]-2-(propylamino)butanenitrile.
What is the SMILES notation for 4-[3,3-dimethylbutan-2-yl(methyl)amino]-2-(propylamino)butanenitrile?
The canonical SMILES for 4-[3,3-dimethylbutan-2-yl(methyl)amino]-2-(propylamino)butanenitrile is CCCNC(C#N)CCN(C)C(C)C(C)(C)C.
What is the InChIKey of 4-[3,3-dimethylbutan-2-yl(methyl)amino]-2-(propylamino)butanenitrile?
The InChIKey is FJLMLXRYHPZTQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3/c1-7-9-16-13(11-15)8-10-17(6)12(2)14(3,4)5/h12-13,16H,7-10H2,1-6H3.
What are the key properties of 4-[3,3-dimethylbutan-2-yl(methyl)amino]-2-(propylamino)butanenitrile?
4-[3,3-dimethylbutan-2-yl(methyl)amino]-2-(propylamino)butanenitrile has a molecular weight of 239.41 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,3-dimethylbutan-2-yl(methyl)amino]-2-(propylamino)butanenitrile is sourced from PubChem (CID 63029476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).