(Z)-2-(2,4-dimethyl-1,2,3,6-tetrahydropyridin-5-yl)-3-(methylamino)hex-2-enenitrile

C14H23N3 — CID 153377588

IUPAC(Z)-2-(2,4-dimethyl-1,2,3,6-tetrahydropyridin-5-yl)-3-(methylamino)hex-2-enenitrile
SMILESCCC/C(NC)=C(/C#N)C1=C(C)CC(C)NC1
InChIInChI=1S/C14H23N3/c1-5-6-14(16-4)12(8-15)13-9-17-11(3)7-10(13)2/h11,16-17H,5-7,9H2,1-4H3/b14-12+
InChIKeyYDKLWWJNLHRRBU-WYMLVPIESA-N
MW233.36 g/mol
LogP2.48
Rot. Bonds4

About (Z)-2-(2,4-dimethyl-1,2,3,6-tetrahydropyridin-5-yl)-3-(methylamino)hex-2-enenitrile

(Z)-2-(2,4-dimethyl-1,2,3,6-tetrahydropyridin-5-yl)-3-(methylamino)hex-2-enenitrile (PubChem CID 153377588) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is (Z)-2-(2,4-dimethyl-1,2,3,6-tetrahydropyridin-5-yl)-3-(methylamino)hex-2-enenitrile.

Molecular Properties

Compound Name(Z)-2-(2,4-dimethyl-1,2,3,6-tetrahydropyridin-5-yl)-3-(methylamino)hex-2-enenitrile
PubChem CID153377588
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name(Z)-2-(2,4-dimethyl-1,2,3,6-tetrahydropyridin-5-yl)-3-(methylamino)hex-2-enenitrile
SMILESCCC/C(NC)=C(/C#N)C1=C(C)CC(C)NC1
InChIInChI=1S/C14H23N3/c1-5-6-14(16-4)12(8-15)13-9-17-11(3)7-10(13)2/h11,16-17H,5-7,9H2,1-4H3/b14-12+
InChIKeyYDKLWWJNLHRRBU-WYMLVPIESA-N
XLogP2.48
TPSA47.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-(2,4-dimethyl-1,2,3,6-tetrahydropyridin-5-yl)-3-(methylamino)hex-2-enenitrile?
The IUPAC name of (Z)-2-(2,4-dimethyl-1,2,3,6-tetrahydropyridin-5-yl)-3-(methylamino)hex-2-enenitrile (CID 153377588) is (Z)-2-(2,4-dimethyl-1,2,3,6-tetrahydropyridin-5-yl)-3-(methylamino)hex-2-enenitrile.
What is the SMILES notation for (Z)-2-(2,4-dimethyl-1,2,3,6-tetrahydropyridin-5-yl)-3-(methylamino)hex-2-enenitrile?
The canonical SMILES for (Z)-2-(2,4-dimethyl-1,2,3,6-tetrahydropyridin-5-yl)-3-(methylamino)hex-2-enenitrile is CCC/C(NC)=C(/C#N)C1=C(C)CC(C)NC1.
What is the InChIKey of (Z)-2-(2,4-dimethyl-1,2,3,6-tetrahydropyridin-5-yl)-3-(methylamino)hex-2-enenitrile?
The InChIKey is YDKLWWJNLHRRBU-WYMLVPIESA-N. The full InChI is InChI=1S/C14H23N3/c1-5-6-14(16-4)12(8-15)13-9-17-11(3)7-10(13)2/h11,16-17H,5-7,9H2,1-4H3/b14-12+.
What are the key properties of (Z)-2-(2,4-dimethyl-1,2,3,6-tetrahydropyridin-5-yl)-3-(methylamino)hex-2-enenitrile?
(Z)-2-(2,4-dimethyl-1,2,3,6-tetrahydropyridin-5-yl)-3-(methylamino)hex-2-enenitrile has a molecular weight of 233.36 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(2,4-dimethyl-1,2,3,6-tetrahydropyridin-5-yl)-3-(methylamino)hex-2-enenitrile is sourced from PubChem (CID 153377588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).