5-methyl-N-[(3Z,5Z)-3-(methylideneamino)hepta-3,5-dienyl]pyridin-2-amine

C14H19N3 — CID 143285753

IUPAC5-methyl-N-[(3Z,5Z)-3-(methylideneamino)hepta-3,5-dienyl]pyridin-2-amine
SMILESC=N/C(=C\C=C/C)CCNc1ccc(C)cn1
InChIInChI=1S/C14H19N3/c1-4-5-6-13(15-3)9-10-16-14-8-7-12(2)11-17-14/h4-8,11H,3,9-10H2,1-2H3,(H,16,17)/b5-4-,13-6-
InChIKeyTVRJBIULUVGNGP-YIDBNINZSA-N
MW229.33 g/mol
LogP3.35
Rot. Bonds6

About 5-methyl-N-[(3Z,5Z)-3-(methylideneamino)hepta-3,5-dienyl]pyridin-2-amine

5-methyl-N-[(3Z,5Z)-3-(methylideneamino)hepta-3,5-dienyl]pyridin-2-amine (PubChem CID 143285753) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 5-methyl-N-[(3Z,5Z)-3-(methylideneamino)hepta-3,5-dienyl]pyridin-2-amine.

Molecular Properties

Compound Name5-methyl-N-[(3Z,5Z)-3-(methylideneamino)hepta-3,5-dienyl]pyridin-2-amine
PubChem CID143285753
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name5-methyl-N-[(3Z,5Z)-3-(methylideneamino)hepta-3,5-dienyl]pyridin-2-amine
SMILESC=N/C(=C\C=C/C)CCNc1ccc(C)cn1
InChIInChI=1S/C14H19N3/c1-4-5-6-13(15-3)9-10-16-14-8-7-12(2)11-17-14/h4-8,11H,3,9-10H2,1-2H3,(H,16,17)/b5-4-,13-6-
InChIKeyTVRJBIULUVGNGP-YIDBNINZSA-N
XLogP3.35
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(3Z,5Z)-3-(methylideneamino)hepta-3,5-dienyl]pyridin-2-amine?
The IUPAC name of 5-methyl-N-[(3Z,5Z)-3-(methylideneamino)hepta-3,5-dienyl]pyridin-2-amine (CID 143285753) is 5-methyl-N-[(3Z,5Z)-3-(methylideneamino)hepta-3,5-dienyl]pyridin-2-amine.
What is the SMILES notation for 5-methyl-N-[(3Z,5Z)-3-(methylideneamino)hepta-3,5-dienyl]pyridin-2-amine?
The canonical SMILES for 5-methyl-N-[(3Z,5Z)-3-(methylideneamino)hepta-3,5-dienyl]pyridin-2-amine is C=N/C(=C\C=C/C)CCNc1ccc(C)cn1.
What is the InChIKey of 5-methyl-N-[(3Z,5Z)-3-(methylideneamino)hepta-3,5-dienyl]pyridin-2-amine?
The InChIKey is TVRJBIULUVGNGP-YIDBNINZSA-N. The full InChI is InChI=1S/C14H19N3/c1-4-5-6-13(15-3)9-10-16-14-8-7-12(2)11-17-14/h4-8,11H,3,9-10H2,1-2H3,(H,16,17)/b5-4-,13-6-.
What are the key properties of 5-methyl-N-[(3Z,5Z)-3-(methylideneamino)hepta-3,5-dienyl]pyridin-2-amine?
5-methyl-N-[(3Z,5Z)-3-(methylideneamino)hepta-3,5-dienyl]pyridin-2-amine has a molecular weight of 229.33 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(3Z,5Z)-3-(methylideneamino)hepta-3,5-dienyl]pyridin-2-amine is sourced from PubChem (CID 143285753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).