2-cyclopropyl-3-[cyclopropyl(propyl)amino]-2-(methylamino)propanenitrile

C13H23N3 — CID 63913959

IUPAC2-cyclopropyl-3-[cyclopropyl(propyl)amino]-2-(methylamino)propanenitrile
SMILESCCCN(CC(C#N)(NC)C1CC1)C1CC1
InChIInChI=1S/C13H23N3/c1-3-8-16(12-6-7-12)10-13(9-14,15-2)11-4-5-11/h11-12,15H,3-8,10H2,1-2H3
InChIKeyPIHKQRJAQGNJFD-UHFFFAOYSA-N
MW221.35 g/mol
LogP1.75
Rot. Bonds7

About 2-cyclopropyl-3-[cyclopropyl(propyl)amino]-2-(methylamino)propanenitrile

2-cyclopropyl-3-[cyclopropyl(propyl)amino]-2-(methylamino)propanenitrile (PubChem CID 63913959) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 2-cyclopropyl-3-[cyclopropyl(propyl)amino]-2-(methylamino)propanenitrile.

Molecular Properties

Compound Name2-cyclopropyl-3-[cyclopropyl(propyl)amino]-2-(methylamino)propanenitrile
PubChem CID63913959
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name2-cyclopropyl-3-[cyclopropyl(propyl)amino]-2-(methylamino)propanenitrile
SMILESCCCN(CC(C#N)(NC)C1CC1)C1CC1
InChIInChI=1S/C13H23N3/c1-3-8-16(12-6-7-12)10-13(9-14,15-2)11-4-5-11/h11-12,15H,3-8,10H2,1-2H3
InChIKeyPIHKQRJAQGNJFD-UHFFFAOYSA-N
XLogP1.75
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-[cyclopropyl(propyl)amino]-2-(methylamino)propanenitrile?
The IUPAC name of 2-cyclopropyl-3-[cyclopropyl(propyl)amino]-2-(methylamino)propanenitrile (CID 63913959) is 2-cyclopropyl-3-[cyclopropyl(propyl)amino]-2-(methylamino)propanenitrile.
What is the SMILES notation for 2-cyclopropyl-3-[cyclopropyl(propyl)amino]-2-(methylamino)propanenitrile?
The canonical SMILES for 2-cyclopropyl-3-[cyclopropyl(propyl)amino]-2-(methylamino)propanenitrile is CCCN(CC(C#N)(NC)C1CC1)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-[cyclopropyl(propyl)amino]-2-(methylamino)propanenitrile?
The InChIKey is PIHKQRJAQGNJFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-3-8-16(12-6-7-12)10-13(9-14,15-2)11-4-5-11/h11-12,15H,3-8,10H2,1-2H3.
What are the key properties of 2-cyclopropyl-3-[cyclopropyl(propyl)amino]-2-(methylamino)propanenitrile?
2-cyclopropyl-3-[cyclopropyl(propyl)amino]-2-(methylamino)propanenitrile has a molecular weight of 221.35 g/mol, XLogP of 1.75, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-[cyclopropyl(propyl)amino]-2-(methylamino)propanenitrile is sourced from PubChem (CID 63913959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).