3-[cyclopropyl(ethyl)amino]-2-methylpropanenitrile

C9H16N2 — CID 43243305

IUPAC3-[cyclopropyl(ethyl)amino]-2-methylpropanenitrile
SMILESCCN(CC(C)C#N)C1CC1
InChIInChI=1S/C9H16N2/c1-3-11(9-4-5-9)7-8(2)6-10/h8-9H,3-5,7H2,1-2H3
InChIKeyVILXOSRIHQQQQO-UHFFFAOYSA-N
MW152.24 g/mol
LogP1.63
Rot. Bonds4

About 3-[cyclopropyl(ethyl)amino]-2-methylpropanenitrile

3-[cyclopropyl(ethyl)amino]-2-methylpropanenitrile (PubChem CID 43243305) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 3-[cyclopropyl(ethyl)amino]-2-methylpropanenitrile.

Molecular Properties

Compound Name3-[cyclopropyl(ethyl)amino]-2-methylpropanenitrile
PubChem CID43243305
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name3-[cyclopropyl(ethyl)amino]-2-methylpropanenitrile
SMILESCCN(CC(C)C#N)C1CC1
InChIInChI=1S/C9H16N2/c1-3-11(9-4-5-9)7-8(2)6-10/h8-9H,3-5,7H2,1-2H3
InChIKeyVILXOSRIHQQQQO-UHFFFAOYSA-N
XLogP1.63
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(ethyl)amino]-2-methylpropanenitrile?
The IUPAC name of 3-[cyclopropyl(ethyl)amino]-2-methylpropanenitrile (CID 43243305) is 3-[cyclopropyl(ethyl)amino]-2-methylpropanenitrile.
What is the SMILES notation for 3-[cyclopropyl(ethyl)amino]-2-methylpropanenitrile?
The canonical SMILES for 3-[cyclopropyl(ethyl)amino]-2-methylpropanenitrile is CCN(CC(C)C#N)C1CC1.
What is the InChIKey of 3-[cyclopropyl(ethyl)amino]-2-methylpropanenitrile?
The InChIKey is VILXOSRIHQQQQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-3-11(9-4-5-9)7-8(2)6-10/h8-9H,3-5,7H2,1-2H3.
What are the key properties of 3-[cyclopropyl(ethyl)amino]-2-methylpropanenitrile?
3-[cyclopropyl(ethyl)amino]-2-methylpropanenitrile has a molecular weight of 152.24 g/mol, XLogP of 1.63, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(ethyl)amino]-2-methylpropanenitrile is sourced from PubChem (CID 43243305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).