6-methyl-3-(prop-2-enylamino)piperidine-3-carbonitrile

C10H17N3 — CID 130952070

IUPAC6-methyl-3-(prop-2-enylamino)piperidine-3-carbonitrile
SMILESC=CCNC1(C#N)CCC(C)NC1
InChIInChI=1S/C10H17N3/c1-3-6-13-10(7-11)5-4-9(2)12-8-10/h3,9,12-13H,1,4-6,8H2,2H3
InChIKeyJVTNNODCWDJQGZ-UHFFFAOYSA-N
MW179.27 g/mol
LogP0.80
Rot. Bonds3

About 6-methyl-3-(prop-2-enylamino)piperidine-3-carbonitrile

6-methyl-3-(prop-2-enylamino)piperidine-3-carbonitrile (PubChem CID 130952070) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 6-methyl-3-(prop-2-enylamino)piperidine-3-carbonitrile.

Molecular Properties

Compound Name6-methyl-3-(prop-2-enylamino)piperidine-3-carbonitrile
PubChem CID130952070
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name6-methyl-3-(prop-2-enylamino)piperidine-3-carbonitrile
SMILESC=CCNC1(C#N)CCC(C)NC1
InChIInChI=1S/C10H17N3/c1-3-6-13-10(7-11)5-4-9(2)12-8-10/h3,9,12-13H,1,4-6,8H2,2H3
InChIKeyJVTNNODCWDJQGZ-UHFFFAOYSA-N
XLogP0.80
TPSA47.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 6-methyl-3-(prop-2-enylamino)piperidine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-Methylpropyl)-1-prop-2-enylpiperazine
CID 64831849
(S)-1-allyl-3-isobutylpiperazine
CID 66874002
1-Methyl-4-(prop-2-enylamino)piperidine-4-carbonitrile
CID 28702855
1-Ethyl-4-(prop-2-enylamino)piperidine-4-carbonitrile
CID 28702963
4-(Prop-2-enylamino)-1-propylpiperidine-4-carbonitrile
CID 62352679
1-Propan-2-yl-4-(prop-2-enylamino)piperidine-4-carbonitrile
CID 62353257
2,5-Dimethyl-2-(prop-2-enylamino)hexanenitrile
CID 62354656
3-Methyl-2-(prop-2-enylamino)hexanenitrile
CID 62354864
2-(3-methylpiperidin-1-yl)-N-prop-2-enylpropan-1-amine
CID 62556262
2-(3,5-dimethylpiperidin-1-yl)-N-prop-2-enylpropan-1-amine
CID 62557815
N-[2-(2,3-dimethylpiperidin-1-yl)ethyl]prop-2-en-1-amine
CID 62559543
N-[2-(2,4-dimethylpiperidin-1-yl)ethyl]prop-2-en-1-amine
CID 62559936

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-(prop-2-enylamino)piperidine-3-carbonitrile?
The IUPAC name of 6-methyl-3-(prop-2-enylamino)piperidine-3-carbonitrile (CID 130952070) is 6-methyl-3-(prop-2-enylamino)piperidine-3-carbonitrile.
What is the SMILES notation for 6-methyl-3-(prop-2-enylamino)piperidine-3-carbonitrile?
The canonical SMILES for 6-methyl-3-(prop-2-enylamino)piperidine-3-carbonitrile is C=CCNC1(C#N)CCC(C)NC1.
What is the InChIKey of 6-methyl-3-(prop-2-enylamino)piperidine-3-carbonitrile?
The InChIKey is JVTNNODCWDJQGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-3-6-13-10(7-11)5-4-9(2)12-8-10/h3,9,12-13H,1,4-6,8H2,2H3.
What are the key properties of 6-methyl-3-(prop-2-enylamino)piperidine-3-carbonitrile?
6-methyl-3-(prop-2-enylamino)piperidine-3-carbonitrile has a molecular weight of 179.27 g/mol, XLogP of 0.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-(prop-2-enylamino)piperidine-3-carbonitrile is sourced from PubChem (CID 130952070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).