3-[3-(dimethylamino)propyl-ethylamino]-2-methylpropanenitrile

C11H23N3 — CID 115630903

IUPAC3-[3-(dimethylamino)propyl-ethylamino]-2-methylpropanenitrile
SMILESCCN(CCCN(C)C)CC(C)C#N
InChIInChI=1S/C11H23N3/c1-5-14(10-11(2)9-12)8-6-7-13(3)4/h11H,5-8,10H2,1-4H3
InChIKeyIZOLERLVIZIUKQ-UHFFFAOYSA-N
MW197.33 g/mol
LogP1.42
Rot. Bonds7

About 3-[3-(dimethylamino)propyl-ethylamino]-2-methylpropanenitrile

3-[3-(dimethylamino)propyl-ethylamino]-2-methylpropanenitrile (PubChem CID 115630903) has the molecular formula C11H23N3 and a molecular weight of 197.33 g/mol. Its IUPAC name is 3-[3-(dimethylamino)propyl-ethylamino]-2-methylpropanenitrile.

Molecular Properties

Compound Name3-[3-(dimethylamino)propyl-ethylamino]-2-methylpropanenitrile
PubChem CID115630903
Molecular FormulaC11H23N3
Molecular Weight197.33 g/mol
Exact Mass197.19
IUPAC Name3-[3-(dimethylamino)propyl-ethylamino]-2-methylpropanenitrile
SMILESCCN(CCCN(C)C)CC(C)C#N
InChIInChI=1S/C11H23N3/c1-5-14(10-11(2)9-12)8-6-7-13(3)4/h11H,5-8,10H2,1-4H3
InChIKeyIZOLERLVIZIUKQ-UHFFFAOYSA-N
XLogP1.42
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.33
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[ethyl(3-fluoropropyl)amino]-2-methylpropanenitrile
CID 81105423
3-[ethyl(2-methoxyethyl)amino]-2-methylpropanenitrile
CID 61448617
3-[ethyl(3-phenylpropyl)amino]-2-methylpropanenitrile
CID 61225285
6-(dimethylamino)-2-methylhexanenitrile
CID 54049734
2-[3-(dimethylamino)propyl-ethylamino]propanenitrile
CID 102993262
2-[[3-(dimethylamino)propyl-ethylamino]methyl]-3-methylbutane-1-thiol
CID 102998690
N-[3-(dimethylamino)propyl]-N-ethyl-2-methylbutane-1,4-diamine
CID 102994226
1-[3-(dimethylamino)propyl-[(2R)-2-hydroxypropyl]amino]propan-2-ol
CID 87581413
N'-[3-[di(propan-2-yl)amino]propyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 178016346
2-[2-cyanopropyl(ethyl)amino]-N,N-dimethylacetamide
CID 61450794
3-[ethyl-(4-oxo-4-piperidin-1-ylbutyl)amino]-2-methylpropanenitrile
CID 102562528
N-(2-cyanoethyl)-3-[2-cyanopropyl(ethyl)amino]-N-methylpropanamide
CID 54988279

Frequently Asked Questions

What is the IUPAC name of 3-[3-(dimethylamino)propyl-ethylamino]-2-methylpropanenitrile?
The IUPAC name of 3-[3-(dimethylamino)propyl-ethylamino]-2-methylpropanenitrile (CID 115630903) is 3-[3-(dimethylamino)propyl-ethylamino]-2-methylpropanenitrile.
What is the SMILES notation for 3-[3-(dimethylamino)propyl-ethylamino]-2-methylpropanenitrile?
The canonical SMILES for 3-[3-(dimethylamino)propyl-ethylamino]-2-methylpropanenitrile is CCN(CCCN(C)C)CC(C)C#N.
What is the InChIKey of 3-[3-(dimethylamino)propyl-ethylamino]-2-methylpropanenitrile?
The InChIKey is IZOLERLVIZIUKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3/c1-5-14(10-11(2)9-12)8-6-7-13(3)4/h11H,5-8,10H2,1-4H3.
What are the key properties of 3-[3-(dimethylamino)propyl-ethylamino]-2-methylpropanenitrile?
3-[3-(dimethylamino)propyl-ethylamino]-2-methylpropanenitrile has a molecular weight of 197.33 g/mol, XLogP of 1.42, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dimethylamino)propyl-ethylamino]-2-methylpropanenitrile is sourced from PubChem (CID 115630903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).