2-cyclopropyl-2-(propan-2-ylamino)propanenitrile

C9H16N2 — CID 43151533

IUPAC2-cyclopropyl-2-(propan-2-ylamino)propanenitrile
SMILESCC(C)NC(C)(C#N)C1CC1
InChIInChI=1S/C9H16N2/c1-7(2)11-9(3,6-10)8-4-5-8/h7-8,11H,4-5H2,1-3H3
InChIKeyOBXVSDPORPUFMM-UHFFFAOYSA-N
MW152.24 g/mol
LogP1.68
Rot. Bonds3

About 2-cyclopropyl-2-(propan-2-ylamino)propanenitrile

2-cyclopropyl-2-(propan-2-ylamino)propanenitrile (PubChem CID 43151533) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 2-cyclopropyl-2-(propan-2-ylamino)propanenitrile.

Molecular Properties

Compound Name2-cyclopropyl-2-(propan-2-ylamino)propanenitrile
PubChem CID43151533
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name2-cyclopropyl-2-(propan-2-ylamino)propanenitrile
SMILESCC(C)NC(C)(C#N)C1CC1
InChIInChI=1S/C9H16N2/c1-7(2)11-9(3,6-10)8-4-5-8/h7-8,11H,4-5H2,1-3H3
InChIKeyOBXVSDPORPUFMM-UHFFFAOYSA-N
XLogP1.68
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(propan-2-ylamino)propanenitrile?
The IUPAC name of 2-cyclopropyl-2-(propan-2-ylamino)propanenitrile (CID 43151533) is 2-cyclopropyl-2-(propan-2-ylamino)propanenitrile.
What is the SMILES notation for 2-cyclopropyl-2-(propan-2-ylamino)propanenitrile?
The canonical SMILES for 2-cyclopropyl-2-(propan-2-ylamino)propanenitrile is CC(C)NC(C)(C#N)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(propan-2-ylamino)propanenitrile?
The InChIKey is OBXVSDPORPUFMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-7(2)11-9(3,6-10)8-4-5-8/h7-8,11H,4-5H2,1-3H3.
What are the key properties of 2-cyclopropyl-2-(propan-2-ylamino)propanenitrile?
2-cyclopropyl-2-(propan-2-ylamino)propanenitrile has a molecular weight of 152.24 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(propan-2-ylamino)propanenitrile is sourced from PubChem (CID 43151533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).