2-[methyl-(1-prop-2-enylpiperidin-3-yl)amino]acetonitrile

C11H19N3 — CID 117004825

IUPAC2-[methyl-(1-prop-2-enylpiperidin-3-yl)amino]acetonitrile
SMILESC=CCN1CCCC(N(C)CC#N)C1
InChIInChI=1S/C11H19N3/c1-3-7-14-8-4-5-11(10-14)13(2)9-6-12/h3,11H,1,4-5,7-10H2,2H3
InChIKeyAJPLUMYEPFLKHF-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.09
Rot. Bonds4

About 2-[methyl-(1-prop-2-enylpiperidin-3-yl)amino]acetonitrile

2-[methyl-(1-prop-2-enylpiperidin-3-yl)amino]acetonitrile (PubChem CID 117004825) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 2-[methyl-(1-prop-2-enylpiperidin-3-yl)amino]acetonitrile.

Molecular Properties

Compound Name2-[methyl-(1-prop-2-enylpiperidin-3-yl)amino]acetonitrile
PubChem CID117004825
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name2-[methyl-(1-prop-2-enylpiperidin-3-yl)amino]acetonitrile
SMILESC=CCN1CCCC(N(C)CC#N)C1
InChIInChI=1S/C11H19N3/c1-3-7-14-8-4-5-11(10-14)13(2)9-6-12/h3,11H,1,4-5,7-10H2,2H3
InChIKeyAJPLUMYEPFLKHF-UHFFFAOYSA-N
XLogP1.09
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[methyl-(1-methylpiperidin-3-yl)amino]acetonitrile
CID 62548009
2-[[1-[2-(dimethylamino)ethyl]pyrrolidin-3-yl]-methylamino]acetonitrile
CID 117004565
2-[methyl-[1-(4-methylphenyl)piperidin-3-yl]amino]acetonitrile
CID 117004843
2-[[1-(4-chlorophenyl)piperidin-3-yl]-methylamino]acetonitrile
CID 117004856
2-[[1-(3-methoxypropyl)pyrrolidin-3-yl]-methylamino]acetonitrile
CID 117004563
3-tert-butyl-1-prop-2-enylpiperidine
CID 127001155
2-[[1-(2,4-dimethylphenyl)piperidin-3-yl]-methylamino]acetonitrile
CID 117004844
2-(1-prop-2-enylpiperidin-3-yl)ethanol
CID 62356814
N-propan-2-yl-1-prop-2-enylpiperidin-3-amine
CID 83696638
(3S)-3-methyl-1-prop-2-enylpyrrolidine
CID 142074687
2-[(1-tert-butylazetidin-3-yl)-methylamino]acetonitrile
CID 170255267
(3R)-1-ethyl-N,N-dimethylpiperidin-3-amine
CID 95912118

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(1-prop-2-enylpiperidin-3-yl)amino]acetonitrile?
The IUPAC name of 2-[methyl-(1-prop-2-enylpiperidin-3-yl)amino]acetonitrile (CID 117004825) is 2-[methyl-(1-prop-2-enylpiperidin-3-yl)amino]acetonitrile.
What is the SMILES notation for 2-[methyl-(1-prop-2-enylpiperidin-3-yl)amino]acetonitrile?
The canonical SMILES for 2-[methyl-(1-prop-2-enylpiperidin-3-yl)amino]acetonitrile is C=CCN1CCCC(N(C)CC#N)C1.
What is the InChIKey of 2-[methyl-(1-prop-2-enylpiperidin-3-yl)amino]acetonitrile?
The InChIKey is AJPLUMYEPFLKHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-3-7-14-8-4-5-11(10-14)13(2)9-6-12/h3,11H,1,4-5,7-10H2,2H3.
What are the key properties of 2-[methyl-(1-prop-2-enylpiperidin-3-yl)amino]acetonitrile?
2-[methyl-(1-prop-2-enylpiperidin-3-yl)amino]acetonitrile has a molecular weight of 193.29 g/mol, XLogP of 1.09, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(1-prop-2-enylpiperidin-3-yl)amino]acetonitrile is sourced from PubChem (CID 117004825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).