3-[1-(dimethylamino)propan-2-yl-ethylamino]-2-methylpropanenitrile

C11H23N3 — CID 103188911

IUPAC3-[1-(dimethylamino)propan-2-yl-ethylamino]-2-methylpropanenitrile
SMILESCCN(CC(C)C#N)C(C)CN(C)C
InChIInChI=1S/C11H23N3/c1-6-14(8-10(2)7-12)11(3)9-13(4)5/h10-11H,6,8-9H2,1-5H3
InChIKeyAUYKVKKIZUAEGR-UHFFFAOYSA-N
MW197.33 g/mol
LogP1.42
Rot. Bonds6

About 3-[1-(dimethylamino)propan-2-yl-ethylamino]-2-methylpropanenitrile

3-[1-(dimethylamino)propan-2-yl-ethylamino]-2-methylpropanenitrile (PubChem CID 103188911) has the molecular formula C11H23N3 and a molecular weight of 197.33 g/mol. Its IUPAC name is 3-[1-(dimethylamino)propan-2-yl-ethylamino]-2-methylpropanenitrile.

Molecular Properties

Compound Name3-[1-(dimethylamino)propan-2-yl-ethylamino]-2-methylpropanenitrile
PubChem CID103188911
Molecular FormulaC11H23N3
Molecular Weight197.33 g/mol
Exact Mass197.19
IUPAC Name3-[1-(dimethylamino)propan-2-yl-ethylamino]-2-methylpropanenitrile
SMILESCCN(CC(C)C#N)C(C)CN(C)C
InChIInChI=1S/C11H23N3/c1-6-14(8-10(2)7-12)11(3)9-13(4)5/h10-11H,6,8-9H2,1-5H3
InChIKeyAUYKVKKIZUAEGR-UHFFFAOYSA-N
XLogP1.42
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
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

1-N-[1-(dimethylamino)propan-2-yl]-1-N-ethylpropane-1,2-diamine
CID 103188353
(2R)-1-N-[1-(dimethylamino)propan-2-yl]-1-N-ethylpropane-1,2-diamine
CID 103188351
3-[ethyl(3-oxopentan-2-yl)amino]-2-methylpropanenitrile
CID 64867770
2-amino-3-[1-(dimethylamino)propan-2-yl-ethylamino]-2-methylpropanenitrile
CID 103190875
1-N-[1-(dimethylamino)propan-2-yl]-1-N-ethylbutane-1,2-diamine
CID 103188341
3-[3-(dimethylamino)propyl-ethylamino]-2-methylpropanenitrile
CID 115630903
2-methyl-3-[methyl(propan-2-yl)amino]propanenitrile
CID 43367383
1-N-[1-(dimethylamino)propan-2-yl]-1-N-ethyl-2-N,3-dimethylbutane-1,2-diamine
CID 103188488
N'-[1-(dimethylamino)propan-2-yl]-N',2-diethylpropane-1,3-diamine
CID 103189603
3-[2-cyanopropyl(ethyl)amino]-2-methylbutanehydrazide
CID 79408692
2-[ethyl(2-hydroxypropyl)amino]propanenitrile
CID 131211886
3-[1-(dimethylamino)propan-2-yl-ethylamino]propane-1-thiol
CID 103192376

Frequently Asked Questions

What is the IUPAC name of 3-[1-(dimethylamino)propan-2-yl-ethylamino]-2-methylpropanenitrile?
The IUPAC name of 3-[1-(dimethylamino)propan-2-yl-ethylamino]-2-methylpropanenitrile (CID 103188911) is 3-[1-(dimethylamino)propan-2-yl-ethylamino]-2-methylpropanenitrile.
What is the SMILES notation for 3-[1-(dimethylamino)propan-2-yl-ethylamino]-2-methylpropanenitrile?
The canonical SMILES for 3-[1-(dimethylamino)propan-2-yl-ethylamino]-2-methylpropanenitrile is CCN(CC(C)C#N)C(C)CN(C)C.
What is the InChIKey of 3-[1-(dimethylamino)propan-2-yl-ethylamino]-2-methylpropanenitrile?
The InChIKey is AUYKVKKIZUAEGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3/c1-6-14(8-10(2)7-12)11(3)9-13(4)5/h10-11H,6,8-9H2,1-5H3.
What are the key properties of 3-[1-(dimethylamino)propan-2-yl-ethylamino]-2-methylpropanenitrile?
3-[1-(dimethylamino)propan-2-yl-ethylamino]-2-methylpropanenitrile has a molecular weight of 197.33 g/mol, XLogP of 1.42, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(dimethylamino)propan-2-yl-ethylamino]-2-methylpropanenitrile is sourced from PubChem (CID 103188911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).