2-[3-(dimethylamino)propylamino]-2-methylpropanenitrile

C9H19N3 — CID 28702603

IUPAC2-[3-(dimethylamino)propylamino]-2-methylpropanenitrile
SMILESCN(C)CCCNC(C)(C)C#N
InChIInChI=1S/C9H19N3/c1-9(2,8-10)11-6-5-7-12(3)4/h11H,5-7H2,1-4H3
InChIKeyNFNOGJPCFFEXEP-UHFFFAOYSA-N
MW169.27 g/mol
LogP0.83
Rot. Bonds5

About 2-[3-(dimethylamino)propylamino]-2-methylpropanenitrile

2-[3-(dimethylamino)propylamino]-2-methylpropanenitrile (PubChem CID 28702603) has the molecular formula C9H19N3 and a molecular weight of 169.27 g/mol. Its IUPAC name is 2-[3-(dimethylamino)propylamino]-2-methylpropanenitrile.

Molecular Properties

Compound Name2-[3-(dimethylamino)propylamino]-2-methylpropanenitrile
PubChem CID28702603
Molecular FormulaC9H19N3
Molecular Weight169.27 g/mol
Exact Mass169.16
IUPAC Name2-[3-(dimethylamino)propylamino]-2-methylpropanenitrile
SMILESCN(C)CCCNC(C)(C)C#N
InChIInChI=1S/C9H19N3/c1-9(2,8-10)11-6-5-7-12(3)4/h11H,5-7H2,1-4H3
InChIKeyNFNOGJPCFFEXEP-UHFFFAOYSA-N
XLogP0.83
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-2-(pentylamino)propanenitrile
CID 28702643
N,N'-bis[3-(dimethylamino)propyl]propane-1,3-diamine
CID 10999288
N-[3-[3-(dimethylamino)propoxy]propyl]-2-methylpropan-2-amine
CID 62460782
2-amino-3-[3-(dimethylamino)propyl-methylamino]-2-methylpropanenitrile
CID 63699790
2-[2-(dimethylamino)ethylamino]-2-methylhex-5-enenitrile
CID 104655896
3-(2,2-dimethylhydrazinyl)-N,N-dimethylpropan-1-amine
CID 114525248
N',N'-dimethyl-N-[1-[(2-methylpropan-2-yl)oxy]ethenyl]propane-1,3-diamine
CID 89033616
2-cyano-N-[2-(dimethylamino)ethyl]-2-methylpropanamide
CID 61061078
4-[3-(dimethylamino)propyl-ethylamino]-2,2-dimethylbutanenitrile
CID 102993281
N-[3-(dimethylamino)propyl]-3,3-dimethyl-2-methylidenebutanamide
CID 162373354
3-[3-(dimethylamino)propylamino]pentanenitrile
CID 43368688
4-[3-(dimethylamino)propylamino]benzene-1,2-dicarbonitrile
CID 114001772

Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)propylamino]-2-methylpropanenitrile?
The IUPAC name of 2-[3-(dimethylamino)propylamino]-2-methylpropanenitrile (CID 28702603) is 2-[3-(dimethylamino)propylamino]-2-methylpropanenitrile.
What is the SMILES notation for 2-[3-(dimethylamino)propylamino]-2-methylpropanenitrile?
The canonical SMILES for 2-[3-(dimethylamino)propylamino]-2-methylpropanenitrile is CN(C)CCCNC(C)(C)C#N.
What is the InChIKey of 2-[3-(dimethylamino)propylamino]-2-methylpropanenitrile?
The InChIKey is NFNOGJPCFFEXEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3/c1-9(2,8-10)11-6-5-7-12(3)4/h11H,5-7H2,1-4H3.
What are the key properties of 2-[3-(dimethylamino)propylamino]-2-methylpropanenitrile?
2-[3-(dimethylamino)propylamino]-2-methylpropanenitrile has a molecular weight of 169.27 g/mol, XLogP of 0.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)propylamino]-2-methylpropanenitrile is sourced from PubChem (CID 28702603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).