5-methyl-6-[(2Z)-penta-2,4-dien-2-yl]-4-prop-1-en-2-yl-3,4-dihydropyridin-2-amine

C14H20N2 — CID 89199424

IUPAC5-methyl-6-[(2Z)-penta-2,4-dien-2-yl]-4-prop-1-en-2-yl-3,4-dihydropyridin-2-amine
SMILESC=C/C=C(/C)C1=C(C)C(C(=C)C)CC(N)=N1
InChIInChI=1S/C14H20N2/c1-6-7-10(4)14-11(5)12(9(2)3)8-13(15)16-14/h6-7,12H,1-2,8H2,3-5H3,(H2,15,16)/b10-7-
InChIKeyHNPPHKMQRXPARU-YFHOEESVSA-N
MW216.33 g/mol
LogP3.35
Rot. Bonds3

About 5-methyl-6-[(2Z)-penta-2,4-dien-2-yl]-4-prop-1-en-2-yl-3,4-dihydropyridin-2-amine

5-methyl-6-[(2Z)-penta-2,4-dien-2-yl]-4-prop-1-en-2-yl-3,4-dihydropyridin-2-amine (PubChem CID 89199424) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 5-methyl-6-[(2Z)-penta-2,4-dien-2-yl]-4-prop-1-en-2-yl-3,4-dihydropyridin-2-amine.

Molecular Properties

Compound Name5-methyl-6-[(2Z)-penta-2,4-dien-2-yl]-4-prop-1-en-2-yl-3,4-dihydropyridin-2-amine
PubChem CID89199424
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name5-methyl-6-[(2Z)-penta-2,4-dien-2-yl]-4-prop-1-en-2-yl-3,4-dihydropyridin-2-amine
SMILESC=C/C=C(/C)C1=C(C)C(C(=C)C)CC(N)=N1
InChIInChI=1S/C14H20N2/c1-6-7-10(4)14-11(5)12(9(2)3)8-13(15)16-14/h6-7,12H,1-2,8H2,3-5H3,(H2,15,16)/b10-7-
InChIKeyHNPPHKMQRXPARU-YFHOEESVSA-N
XLogP3.35
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-[(2Z)-penta-2,4-dien-2-yl]-4-prop-1-en-2-yl-3,4-dihydropyridin-2-amine?
The IUPAC name of 5-methyl-6-[(2Z)-penta-2,4-dien-2-yl]-4-prop-1-en-2-yl-3,4-dihydropyridin-2-amine (CID 89199424) is 5-methyl-6-[(2Z)-penta-2,4-dien-2-yl]-4-prop-1-en-2-yl-3,4-dihydropyridin-2-amine.
What is the SMILES notation for 5-methyl-6-[(2Z)-penta-2,4-dien-2-yl]-4-prop-1-en-2-yl-3,4-dihydropyridin-2-amine?
The canonical SMILES for 5-methyl-6-[(2Z)-penta-2,4-dien-2-yl]-4-prop-1-en-2-yl-3,4-dihydropyridin-2-amine is C=C/C=C(/C)C1=C(C)C(C(=C)C)CC(N)=N1.
What is the InChIKey of 5-methyl-6-[(2Z)-penta-2,4-dien-2-yl]-4-prop-1-en-2-yl-3,4-dihydropyridin-2-amine?
The InChIKey is HNPPHKMQRXPARU-YFHOEESVSA-N. The full InChI is InChI=1S/C14H20N2/c1-6-7-10(4)14-11(5)12(9(2)3)8-13(15)16-14/h6-7,12H,1-2,8H2,3-5H3,(H2,15,16)/b10-7-.
What are the key properties of 5-methyl-6-[(2Z)-penta-2,4-dien-2-yl]-4-prop-1-en-2-yl-3,4-dihydropyridin-2-amine?
5-methyl-6-[(2Z)-penta-2,4-dien-2-yl]-4-prop-1-en-2-yl-3,4-dihydropyridin-2-amine has a molecular weight of 216.33 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-[(2Z)-penta-2,4-dien-2-yl]-4-prop-1-en-2-yl-3,4-dihydropyridin-2-amine is sourced from PubChem (CID 89199424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).