2-[[methyl(prop-1-enyl)amino]methyl]piperidine-1-carbonitrile

C11H19N3 — CID 123394317

IUPAC2-[[methyl(prop-1-enyl)amino]methyl]piperidine-1-carbonitrile
SMILESCC=CN(C)CC1CCCCN1C#N
InChIInChI=1S/C11H19N3/c1-3-7-13(2)9-11-6-4-5-8-14(11)10-12/h3,7,11H,4-6,8-9H2,1-2H3
InChIKeyJTNQXLVTOBZLIB-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.79
Rot. Bonds3

About 2-[[methyl(prop-1-enyl)amino]methyl]piperidine-1-carbonitrile

2-[[methyl(prop-1-enyl)amino]methyl]piperidine-1-carbonitrile (PubChem CID 123394317) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 2-[[methyl(prop-1-enyl)amino]methyl]piperidine-1-carbonitrile.

Molecular Properties

Compound Name2-[[methyl(prop-1-enyl)amino]methyl]piperidine-1-carbonitrile
PubChem CID123394317
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name2-[[methyl(prop-1-enyl)amino]methyl]piperidine-1-carbonitrile
SMILESCC=CN(C)CC1CCCCN1C#N
InChIInChI=1S/C11H19N3/c1-3-7-13(2)9-11-6-4-5-8-14(11)10-12/h3,7,11H,4-6,8-9H2,1-2H3
InChIKeyJTNQXLVTOBZLIB-UHFFFAOYSA-N
XLogP1.79
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[methyl(prop-1-enyl)amino]methyl]piperidine-1-carbonitrile?
The IUPAC name of 2-[[methyl(prop-1-enyl)amino]methyl]piperidine-1-carbonitrile (CID 123394317) is 2-[[methyl(prop-1-enyl)amino]methyl]piperidine-1-carbonitrile.
What is the SMILES notation for 2-[[methyl(prop-1-enyl)amino]methyl]piperidine-1-carbonitrile?
The canonical SMILES for 2-[[methyl(prop-1-enyl)amino]methyl]piperidine-1-carbonitrile is CC=CN(C)CC1CCCCN1C#N.
What is the InChIKey of 2-[[methyl(prop-1-enyl)amino]methyl]piperidine-1-carbonitrile?
The InChIKey is JTNQXLVTOBZLIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-3-7-13(2)9-11-6-4-5-8-14(11)10-12/h3,7,11H,4-6,8-9H2,1-2H3.
What are the key properties of 2-[[methyl(prop-1-enyl)amino]methyl]piperidine-1-carbonitrile?
2-[[methyl(prop-1-enyl)amino]methyl]piperidine-1-carbonitrile has a molecular weight of 193.29 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl(prop-1-enyl)amino]methyl]piperidine-1-carbonitrile is sourced from PubChem (CID 123394317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).