2-methyl-5-[(3Z,5Z)-4-methylocta-1,3,5-trien-2-yl]-5,6-dihydro-1H-pyridazin-4-amine

C14H23N3 — CID 134594197

IUPAC2-methyl-5-[(3Z,5Z)-4-methylocta-1,3,5-trien-2-yl]-5,6-dihydro-1H-pyridazin-4-amine
SMILESC=C(/C=C(C)\C=C/CC)C1CNN(C)C=C1N
InChIInChI=1S/C14H23N3/c1-5-6-7-11(2)8-12(3)13-9-16-17(4)10-14(13)15/h6-8,10,13,16H,3,5,9,15H2,1-2,4H3/b7-6-,11-8-
InChIKeyMVQSSEOOAKMGGH-NJMVCRMVSA-N
MW233.36 g/mol
LogP2.32
Rot. Bonds4

About 2-methyl-5-[(3Z,5Z)-4-methylocta-1,3,5-trien-2-yl]-5,6-dihydro-1H-pyridazin-4-amine

2-methyl-5-[(3Z,5Z)-4-methylocta-1,3,5-trien-2-yl]-5,6-dihydro-1H-pyridazin-4-amine (PubChem CID 134594197) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 2-methyl-5-[(3Z,5Z)-4-methylocta-1,3,5-trien-2-yl]-5,6-dihydro-1H-pyridazin-4-amine.

Molecular Properties

Compound Name2-methyl-5-[(3Z,5Z)-4-methylocta-1,3,5-trien-2-yl]-5,6-dihydro-1H-pyridazin-4-amine
PubChem CID134594197
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name2-methyl-5-[(3Z,5Z)-4-methylocta-1,3,5-trien-2-yl]-5,6-dihydro-1H-pyridazin-4-amine
SMILESC=C(/C=C(C)\C=C/CC)C1CNN(C)C=C1N
InChIInChI=1S/C14H23N3/c1-5-6-7-11(2)8-12(3)13-9-16-17(4)10-14(13)15/h6-8,10,13,16H,3,5,9,15H2,1-2,4H3/b7-6-,11-8-
InChIKeyMVQSSEOOAKMGGH-NJMVCRMVSA-N
XLogP2.32
TPSA41.29 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 ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(1,2-Dihydrotriazol-3-yl)-4-fluoro-5-methylcyclohexa-1,3-dien-1-amine
CID 118130144
2-Methyl-3-(3-methylbut-1-en-2-yl)-1,2-dihydropyrazolo[1,5-a]pyridine
CID 59525160
(Z)-N-(cyclohexa-2,4-dien-1-ylmethyl)-2-hydrazinylprop-1-ene-1,3-diamine
CID 68259094
2-Propan-2-yl-1,2-dihydropyrazolo[1,5-a]pyridine
CID 69017494
2-methyl-5,6-dipropyl-1H-pyridazine
CID 70010314
(5Z)-5-[[amino(methyl)amino]methylidene]-6-ethylcyclohexa-1,3-dien-1-amine
CID 89028273
(1Z,3E)-4-hydrazinyl-5-methylidene-2-propan-2-ylhepta-1,3,6-trien-1-amine
CID 89209869
(1Z)-3-[[2-[(E)-hept-2-en-2-yl]-2-methylhydrazinyl]methyl]hexa-1,5-dien-1-amine
CID 89377629
1-(4-Methylcyclohexa-1,5-dien-1-yl)-1-[2-(6-methyl-1,2-dihydropyridin-3-yl)ethyl]hydrazine
CID 89503254
3-[(1Z)-buta-1,3-dienyl]-2,4-dimethyl-5,6-dihydro-1H-pyridazine
CID 89518302
3-(2-Methylpropyl)-1,2-dihydropyrazolo[1,5-a]pyridine
CID 130410109
3,5-Di(propan-2-yl)-1,2-dihydropyridazine
CID 134201620

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(3Z,5Z)-4-methylocta-1,3,5-trien-2-yl]-5,6-dihydro-1H-pyridazin-4-amine?
The IUPAC name of 2-methyl-5-[(3Z,5Z)-4-methylocta-1,3,5-trien-2-yl]-5,6-dihydro-1H-pyridazin-4-amine (CID 134594197) is 2-methyl-5-[(3Z,5Z)-4-methylocta-1,3,5-trien-2-yl]-5,6-dihydro-1H-pyridazin-4-amine.
What is the SMILES notation for 2-methyl-5-[(3Z,5Z)-4-methylocta-1,3,5-trien-2-yl]-5,6-dihydro-1H-pyridazin-4-amine?
The canonical SMILES for 2-methyl-5-[(3Z,5Z)-4-methylocta-1,3,5-trien-2-yl]-5,6-dihydro-1H-pyridazin-4-amine is C=C(/C=C(C)\C=C/CC)C1CNN(C)C=C1N.
What is the InChIKey of 2-methyl-5-[(3Z,5Z)-4-methylocta-1,3,5-trien-2-yl]-5,6-dihydro-1H-pyridazin-4-amine?
The InChIKey is MVQSSEOOAKMGGH-NJMVCRMVSA-N. The full InChI is InChI=1S/C14H23N3/c1-5-6-7-11(2)8-12(3)13-9-16-17(4)10-14(13)15/h6-8,10,13,16H,3,5,9,15H2,1-2,4H3/b7-6-,11-8-.
What are the key properties of 2-methyl-5-[(3Z,5Z)-4-methylocta-1,3,5-trien-2-yl]-5,6-dihydro-1H-pyridazin-4-amine?
2-methyl-5-[(3Z,5Z)-4-methylocta-1,3,5-trien-2-yl]-5,6-dihydro-1H-pyridazin-4-amine has a molecular weight of 233.36 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(3Z,5Z)-4-methylocta-1,3,5-trien-2-yl]-5,6-dihydro-1H-pyridazin-4-amine is sourced from PubChem (CID 134594197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).