2-cyclopropyl-2-(1,4-diazepan-1-yl)propanenitrile

C11H19N3 — CID 61006277

IUPAC2-cyclopropyl-2-(1,4-diazepan-1-yl)propanenitrile
SMILESCC(C#N)(C1CC1)N1CCCNCC1
InChIInChI=1S/C11H19N3/c1-11(9-12,10-3-4-10)14-7-2-5-13-6-8-14/h10,13H,2-8H2,1H3
InChIKeyDBGYQKSYGUXSCB-UHFFFAOYSA-N
MW193.29 g/mol
LogP0.97
Rot. Bonds2

About 2-cyclopropyl-2-(1,4-diazepan-1-yl)propanenitrile

2-cyclopropyl-2-(1,4-diazepan-1-yl)propanenitrile (PubChem CID 61006277) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 2-cyclopropyl-2-(1,4-diazepan-1-yl)propanenitrile.

Molecular Properties

Compound Name2-cyclopropyl-2-(1,4-diazepan-1-yl)propanenitrile
PubChem CID61006277
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name2-cyclopropyl-2-(1,4-diazepan-1-yl)propanenitrile
SMILESCC(C#N)(C1CC1)N1CCCNCC1
InChIInChI=1S/C11H19N3/c1-11(9-12,10-3-4-10)14-7-2-5-13-6-8-14/h10,13H,2-8H2,1H3
InChIKeyDBGYQKSYGUXSCB-UHFFFAOYSA-N
XLogP0.97
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(1,4-diazepan-1-yl)propanenitrile?
The IUPAC name of 2-cyclopropyl-2-(1,4-diazepan-1-yl)propanenitrile (CID 61006277) is 2-cyclopropyl-2-(1,4-diazepan-1-yl)propanenitrile.
What is the SMILES notation for 2-cyclopropyl-2-(1,4-diazepan-1-yl)propanenitrile?
The canonical SMILES for 2-cyclopropyl-2-(1,4-diazepan-1-yl)propanenitrile is CC(C#N)(C1CC1)N1CCCNCC1.
What is the InChIKey of 2-cyclopropyl-2-(1,4-diazepan-1-yl)propanenitrile?
The InChIKey is DBGYQKSYGUXSCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-11(9-12,10-3-4-10)14-7-2-5-13-6-8-14/h10,13H,2-8H2,1H3.
What are the key properties of 2-cyclopropyl-2-(1,4-diazepan-1-yl)propanenitrile?
2-cyclopropyl-2-(1,4-diazepan-1-yl)propanenitrile has a molecular weight of 193.29 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(1,4-diazepan-1-yl)propanenitrile is sourced from PubChem (CID 61006277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).