5-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-4,4-dimethylpentanenitrile

C14H29N3 — CID 115651171

IUPAC5-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-4,4-dimethylpentanenitrile
SMILESCN(C)CC(C)(C)CNCC(C)(C)CCC#N
InChIInChI=1S/C14H29N3/c1-13(2,8-7-9-15)10-16-11-14(3,4)12-17(5)6/h16H,7-8,10-12H2,1-6H3
InChIKeyJPCTYMVDSQGDHC-UHFFFAOYSA-N
MW239.41 g/mol
LogP2.49
Rot. Bonds8

About 5-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-4,4-dimethylpentanenitrile

5-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-4,4-dimethylpentanenitrile (PubChem CID 115651171) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is 5-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-4,4-dimethylpentanenitrile.

Molecular Properties

Compound Name5-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-4,4-dimethylpentanenitrile
PubChem CID115651171
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC Name5-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-4,4-dimethylpentanenitrile
SMILESCN(C)CC(C)(C)CNCC(C)(C)CCC#N
InChIInChI=1S/C14H29N3/c1-13(2,8-7-9-15)10-16-11-14(3,4)12-17(5)6/h16H,7-8,10-12H2,1-6H3
InChIKeyJPCTYMVDSQGDHC-UHFFFAOYSA-N
XLogP2.49
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.41
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-4,4-dimethylpentanenitrile 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

N-(2-cyanoethyl)-2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]acetamide
CID 28572608
3-[(4-cyano-2,2-dimethylbutyl)amino]-N,N-dimethylpropanamide
CID 115653050
5-[(2-ethyl-2-methylsulfanylbutyl)amino]-4,4-dimethylpentanenitrile
CID 103702172
5-[2-[ethyl(propyl)amino]ethylamino]-4,4-dimethylpentanenitrile
CID 113247973
5-(cyclopropylmethylamino)-4,4-dimethylpentanenitrile
CID 115652002
4,4-dimethyl-5-(pent-3-ynylamino)pentanenitrile
CID 116642917
4,4-dimethyl-5-(4,4,4-trifluorobutylamino)pentanenitrile
CID 115664335
4,4-dimethyl-5-[(2-methyl-2-morpholin-4-ylpropyl)amino]pentanenitrile
CID 115651429
5-(2-ethylsulfonylethylamino)-4,4-dimethylpentanenitrile
CID 115653244
4,4-dimethyl-5-[(1-methylcyclopentyl)methylamino]pentanenitrile
CID 115653658
4,4-dimethyl-5-(5-methylhexylamino)pentanenitrile
CID 115654451
4,4-dimethyl-5-[(2-methyl-3-methylsulfanylpropyl)amino]pentanenitrile
CID 115653859

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-4,4-dimethylpentanenitrile?
The IUPAC name of 5-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-4,4-dimethylpentanenitrile (CID 115651171) is 5-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-4,4-dimethylpentanenitrile.
What is the SMILES notation for 5-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-4,4-dimethylpentanenitrile?
The canonical SMILES for 5-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-4,4-dimethylpentanenitrile is CN(C)CC(C)(C)CNCC(C)(C)CCC#N.
What is the InChIKey of 5-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-4,4-dimethylpentanenitrile?
The InChIKey is JPCTYMVDSQGDHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3/c1-13(2,8-7-9-15)10-16-11-14(3,4)12-17(5)6/h16H,7-8,10-12H2,1-6H3.
What are the key properties of 5-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-4,4-dimethylpentanenitrile?
5-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-4,4-dimethylpentanenitrile has a molecular weight of 239.41 g/mol, XLogP of 2.49, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-4,4-dimethylpentanenitrile is sourced from PubChem (CID 115651171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).