(1Z,3E)-1-N'-methyl-3-(6-methyl-2-pyridinyl)hexa-1,3-diene-1,1-diamine

C13H19N3 — CID 166164796

IUPAC(1Z,3E)-1-N'-methyl-3-(6-methyl-2-pyridinyl)hexa-1,3-diene-1,1-diamine
SMILESCC/C=C(\C=C(\N)NC)c1cccc(C)n1
InChIInChI=1S/C13H19N3/c1-4-6-11(9-13(14)15-3)12-8-5-7-10(2)16-12/h5-9,15H,4,14H2,1-3H3/b11-6+,13-9-
InChIKeyICDFFAJZPSMKBS-JODYEUIASA-N
MW217.32 g/mol
LogP2.20
Rot. Bonds4

About (1Z,3E)-1-N'-methyl-3-(6-methyl-2-pyridinyl)hexa-1,3-diene-1,1-diamine

(1Z,3E)-1-N'-methyl-3-(6-methyl-2-pyridinyl)hexa-1,3-diene-1,1-diamine (PubChem CID 166164796) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is (1Z,3E)-1-N'-methyl-3-(6-methyl-2-pyridinyl)hexa-1,3-diene-1,1-diamine.

Molecular Properties

Compound Name(1Z,3E)-1-N'-methyl-3-(6-methyl-2-pyridinyl)hexa-1,3-diene-1,1-diamine
PubChem CID166164796
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name(1Z,3E)-1-N'-methyl-3-(6-methyl-2-pyridinyl)hexa-1,3-diene-1,1-diamine
SMILESCC/C=C(\C=C(\N)NC)c1cccc(C)n1
InChIInChI=1S/C13H19N3/c1-4-6-11(9-13(14)15-3)12-8-5-7-10(2)16-12/h5-9,15H,4,14H2,1-3H3/b11-6+,13-9-
InChIKeyICDFFAJZPSMKBS-JODYEUIASA-N
XLogP2.20
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1Z,3E)-1-N'-methyl-3-(6-methyl-2-pyridinyl)hexa-1,3-diene-1,1-diamine with MolForge

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Related Compounds

6-methyl-N'-(methylamino)pyridine-2-carboximidamide
CID 14328308
2-(6-methyl-2-pyridinyl)-2-oxoacetaldehyde
CID 138745188
6-methylpyridine-2-carbonyl iodide
CID 154552361
N-amino-N',6-dimethylpyridine-2-carboximidamide
CID 61361045
2-methyl-6-[2,2,6,6-tetramethyl-5-(6-methyl-2-pyridinyl)hepta-3,4-dien-3-yl]pyridine
CID 139069209
(E)-1-(6-methyl-2-pyridinyl)-N-[(E)-1-(6-methyl-2-pyridinyl)ethylideneamino]ethanimine
CID 50989515
(Z)-2-methyl-N-[(6-methyl-2-pyridinyl)methyl]pent-2-enamide
CID 86824305
N-(1-aminopropan-2-yl)-N,6-dimethylpyridine-2-carboxamide
CID 82507394
N-(2-ethylbutyl)-6-methylpyridine-2-carboxamide
CID 115612957
ethyl formate;6-methylpyridine-2-carboxylic acid
CID 143716127
N-[4-(2-amino-2-oxoethyl)phenyl]-6-methylpyridine-2-carboxamide
CID 39279397
4-[(Z)-3-(6-methyl-2-pyridinyl)but-2-en-2-yl]pyridin-2-amine;N-[(E)-pent-2-en-2-yl]hexan-1-amine
CID 169258678

Frequently Asked Questions

What is the IUPAC name of (1Z,3E)-1-N'-methyl-3-(6-methyl-2-pyridinyl)hexa-1,3-diene-1,1-diamine?
The IUPAC name of (1Z,3E)-1-N'-methyl-3-(6-methyl-2-pyridinyl)hexa-1,3-diene-1,1-diamine (CID 166164796) is (1Z,3E)-1-N'-methyl-3-(6-methyl-2-pyridinyl)hexa-1,3-diene-1,1-diamine.
What is the SMILES notation for (1Z,3E)-1-N'-methyl-3-(6-methyl-2-pyridinyl)hexa-1,3-diene-1,1-diamine?
The canonical SMILES for (1Z,3E)-1-N'-methyl-3-(6-methyl-2-pyridinyl)hexa-1,3-diene-1,1-diamine is CC/C=C(\C=C(\N)NC)c1cccc(C)n1.
What is the InChIKey of (1Z,3E)-1-N'-methyl-3-(6-methyl-2-pyridinyl)hexa-1,3-diene-1,1-diamine?
The InChIKey is ICDFFAJZPSMKBS-JODYEUIASA-N. The full InChI is InChI=1S/C13H19N3/c1-4-6-11(9-13(14)15-3)12-8-5-7-10(2)16-12/h5-9,15H,4,14H2,1-3H3/b11-6+,13-9-.
What are the key properties of (1Z,3E)-1-N'-methyl-3-(6-methyl-2-pyridinyl)hexa-1,3-diene-1,1-diamine?
(1Z,3E)-1-N'-methyl-3-(6-methyl-2-pyridinyl)hexa-1,3-diene-1,1-diamine has a molecular weight of 217.32 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3E)-1-N'-methyl-3-(6-methyl-2-pyridinyl)hexa-1,3-diene-1,1-diamine is sourced from PubChem (CID 166164796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).