3-[2-cyanopropan-2-yl(methyl)amino]-2,2-dimethylpropanenitrile

C10H17N3 — CID 131182992

IUPAC3-[2-cyanopropan-2-yl(methyl)amino]-2,2-dimethylpropanenitrile
SMILESCN(CC(C)(C)C#N)C(C)(C)C#N
InChIInChI=1S/C10H17N3/c1-9(2,6-11)8-13(5)10(3,4)7-12/h8H2,1-5H3
InChIKeyZNDQWYCRJFRFQN-UHFFFAOYSA-N
MW179.27 g/mol
LogP1.77
Rot. Bonds3

About 3-[2-cyanopropan-2-yl(methyl)amino]-2,2-dimethylpropanenitrile

3-[2-cyanopropan-2-yl(methyl)amino]-2,2-dimethylpropanenitrile (PubChem CID 131182992) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 3-[2-cyanopropan-2-yl(methyl)amino]-2,2-dimethylpropanenitrile.

Molecular Properties

Compound Name3-[2-cyanopropan-2-yl(methyl)amino]-2,2-dimethylpropanenitrile
PubChem CID131182992
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name3-[2-cyanopropan-2-yl(methyl)amino]-2,2-dimethylpropanenitrile
SMILESCN(CC(C)(C)C#N)C(C)(C)C#N
InChIInChI=1S/C10H17N3/c1-9(2,6-11)8-13(5)10(3,4)7-12/h8H2,1-5H3
InChIKeyZNDQWYCRJFRFQN-UHFFFAOYSA-N
XLogP1.77
TPSA50.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-cyanopropan-2-yl(methyl)amino]-2,2-dimethylpropanenitrile?
The IUPAC name of 3-[2-cyanopropan-2-yl(methyl)amino]-2,2-dimethylpropanenitrile (CID 131182992) is 3-[2-cyanopropan-2-yl(methyl)amino]-2,2-dimethylpropanenitrile.
What is the SMILES notation for 3-[2-cyanopropan-2-yl(methyl)amino]-2,2-dimethylpropanenitrile?
The canonical SMILES for 3-[2-cyanopropan-2-yl(methyl)amino]-2,2-dimethylpropanenitrile is CN(CC(C)(C)C#N)C(C)(C)C#N.
What is the InChIKey of 3-[2-cyanopropan-2-yl(methyl)amino]-2,2-dimethylpropanenitrile?
The InChIKey is ZNDQWYCRJFRFQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-9(2,6-11)8-13(5)10(3,4)7-12/h8H2,1-5H3.
What are the key properties of 3-[2-cyanopropan-2-yl(methyl)amino]-2,2-dimethylpropanenitrile?
3-[2-cyanopropan-2-yl(methyl)amino]-2,2-dimethylpropanenitrile has a molecular weight of 179.27 g/mol, XLogP of 1.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-cyanopropan-2-yl(methyl)amino]-2,2-dimethylpropanenitrile is sourced from PubChem (CID 131182992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).