3-[3-(dimethylamino)anilino]pentanenitrile

C13H19N3 — CID 115377658

IUPAC3-[3-(dimethylamino)anilino]pentanenitrile
SMILESCCC(CC#N)Nc1cccc(N(C)C)c1
InChIInChI=1S/C13H19N3/c1-4-11(8-9-14)15-12-6-5-7-13(10-12)16(2)3/h5-7,10-11,15H,4,8H2,1-3H3
InChIKeyOTDIEIGXCFTGJM-UHFFFAOYSA-N
MW217.32 g/mol
LogP2.86
Rot. Bonds5

About 3-[3-(dimethylamino)anilino]pentanenitrile

3-[3-(dimethylamino)anilino]pentanenitrile (PubChem CID 115377658) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is 3-[3-(dimethylamino)anilino]pentanenitrile.

Molecular Properties

Compound Name3-[3-(dimethylamino)anilino]pentanenitrile
PubChem CID115377658
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name3-[3-(dimethylamino)anilino]pentanenitrile
SMILESCCC(CC#N)Nc1cccc(N(C)C)c1
InChIInChI=1S/C13H19N3/c1-4-11(8-9-14)15-12-6-5-7-13(10-12)16(2)3/h5-7,10-11,15H,4,8H2,1-3H3
InChIKeyOTDIEIGXCFTGJM-UHFFFAOYSA-N
XLogP2.86
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-methylsulfanylanilino)pentanenitrile
CID 43175083
3-N,3-N-dimethyl-1-N-undecan-6-ylbenzene-1,3-diamine
CID 115375894
[3-(dimethylamino)phenyl]cyanamide
CID 115377794
3-(2,6-dibromoanilino)pentanenitrile
CID 107599042
2-[1-[3-(dimethylamino)anilino]propyl]phenol
CID 115376440
3-(4-bromoanilino)pentanenitrile
CID 43368613
1-N-(1,1-dimethoxypropan-2-yl)-3-N,3-N-dimethylbenzene-1,3-diamine
CID 113297532
2-[3-(dimethylamino)anilino]pentanoic acid
CID 83041129
1-amino-N-[3-(dimethylamino)phenyl]butane-2-sulfonamide
CID 113297553
2-(butan-2-ylamino)-N-[3-(dimethylamino)phenyl]acetamide
CID 115376908
2-[3-(dimethylamino)phenyl]acetonitrile
CID 53403559
1-N-[1-(4-bromophenyl)ethyl]-3-N,3-N-dimethylbenzene-1,3-diamine
CID 115375943

Frequently Asked Questions

What is the IUPAC name of 3-[3-(dimethylamino)anilino]pentanenitrile?
The IUPAC name of 3-[3-(dimethylamino)anilino]pentanenitrile (CID 115377658) is 3-[3-(dimethylamino)anilino]pentanenitrile.
What is the SMILES notation for 3-[3-(dimethylamino)anilino]pentanenitrile?
The canonical SMILES for 3-[3-(dimethylamino)anilino]pentanenitrile is CCC(CC#N)Nc1cccc(N(C)C)c1.
What is the InChIKey of 3-[3-(dimethylamino)anilino]pentanenitrile?
The InChIKey is OTDIEIGXCFTGJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-4-11(8-9-14)15-12-6-5-7-13(10-12)16(2)3/h5-7,10-11,15H,4,8H2,1-3H3.
What are the key properties of 3-[3-(dimethylamino)anilino]pentanenitrile?
3-[3-(dimethylamino)anilino]pentanenitrile has a molecular weight of 217.32 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dimethylamino)anilino]pentanenitrile is sourced from PubChem (CID 115377658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).