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

C11H20N2 — CID 61441483

IUPAC3-[butyl(cyclopropyl)amino]-2-methylpropanenitrile
SMILESCCCCN(CC(C)C#N)C1CC1
InChIInChI=1S/C11H20N2/c1-3-4-7-13(11-5-6-11)9-10(2)8-12/h10-11H,3-7,9H2,1-2H3
InChIKeyUKCWLPJVVQDZOF-UHFFFAOYSA-N
MW180.29 g/mol
LogP2.41
Rot. Bonds6

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

3-[butyl(cyclopropyl)amino]-2-methylpropanenitrile (PubChem CID 61441483) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 3-[butyl(cyclopropyl)amino]-2-methylpropanenitrile.

Molecular Properties

Compound Name3-[butyl(cyclopropyl)amino]-2-methylpropanenitrile
PubChem CID61441483
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name3-[butyl(cyclopropyl)amino]-2-methylpropanenitrile
SMILESCCCCN(CC(C)C#N)C1CC1
InChIInChI=1S/C11H20N2/c1-3-4-7-13(11-5-6-11)9-10(2)8-12/h10-11H,3-7,9H2,1-2H3
InChIKeyUKCWLPJVVQDZOF-UHFFFAOYSA-N
XLogP2.41
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[butyl(cyclopropyl)amino]-2-methylpropanenitrile?
The IUPAC name of 3-[butyl(cyclopropyl)amino]-2-methylpropanenitrile (CID 61441483) is 3-[butyl(cyclopropyl)amino]-2-methylpropanenitrile.
What is the SMILES notation for 3-[butyl(cyclopropyl)amino]-2-methylpropanenitrile?
The canonical SMILES for 3-[butyl(cyclopropyl)amino]-2-methylpropanenitrile is CCCCN(CC(C)C#N)C1CC1.
What is the InChIKey of 3-[butyl(cyclopropyl)amino]-2-methylpropanenitrile?
The InChIKey is UKCWLPJVVQDZOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-3-4-7-13(11-5-6-11)9-10(2)8-12/h10-11H,3-7,9H2,1-2H3.
What are the key properties of 3-[butyl(cyclopropyl)amino]-2-methylpropanenitrile?
3-[butyl(cyclopropyl)amino]-2-methylpropanenitrile has a molecular weight of 180.29 g/mol, XLogP of 2.41, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[butyl(cyclopropyl)amino]-2-methylpropanenitrile is sourced from PubChem (CID 61441483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).