(Z)-3-imino-2-[3-methyl-4-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]pyridazin-3-yl]phenyl]prop-1-en-1-amine

C24H33N5 — CID 166913727

IUPAC(Z)-3-imino-2-[3-methyl-4-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]pyridazin-3-yl]phenyl]prop-1-en-1-amine
SMILES[H]/N=C/C(=C\N)c1ccc(-c2ccc(CC3CC(C)(C)NC(C)(C)C3)nn2)c(C)c1
InChIInChI=1S/C24H33N5/c1-16-10-18(19(14-25)15-26)6-8-21(16)22-9-7-20(27-28-22)11-17-12-23(2,3)29-24(4,5)13-17/h6-10,14-15,17,25,29H,11-13,26H2,1-5H3/b19-15+,25-14+
InChIKeyOTTFBZQCKHLTLT-TUSQNCHVSA-N
MW391.56 g/mol
LogP4.50
Rot. Bonds5

About (Z)-3-imino-2-[3-methyl-4-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]pyridazin-3-yl]phenyl]prop-1-en-1-amine

(Z)-3-imino-2-[3-methyl-4-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]pyridazin-3-yl]phenyl]prop-1-en-1-amine (PubChem CID 166913727) has the molecular formula C24H33N5 and a molecular weight of 391.56 g/mol. Its IUPAC name is (Z)-3-imino-2-[3-methyl-4-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]pyridazin-3-yl]phenyl]prop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-3-imino-2-[3-methyl-4-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]pyridazin-3-yl]phenyl]prop-1-en-1-amine
PubChem CID166913727
Molecular FormulaC24H33N5
Molecular Weight391.56 g/mol
Exact Mass391.27
IUPAC Name(Z)-3-imino-2-[3-methyl-4-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]pyridazin-3-yl]phenyl]prop-1-en-1-amine
SMILES[H]/N=C/C(=C\N)c1ccc(-c2ccc(CC3CC(C)(C)NC(C)(C)C3)nn2)c(C)c1
InChIInChI=1S/C24H33N5/c1-16-10-18(19(14-25)15-26)6-8-21(16)22-9-7-20(27-28-22)11-17-12-23(2,3)29-24(4,5)13-17/h6-10,14-15,17,25,29H,11-13,26H2,1-5H3/b19-15+,25-14+
InChIKeyOTTFBZQCKHLTLT-TUSQNCHVSA-N
XLogP4.50
TPSA87.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.56
LogP ≤ 54.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

7-methyl-3-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]pyridazin-3-yl]naphthalen-2-ol
CID 137157841
(2,2,6,6-tetramethylpiperidin-4-yl) (Z)-4-[4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-2-methylphenyl]-4-iminobut-2-enimidate
CID 166914042
5-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-2-[1-(2,2,6,6-tetramethylpiperidin-4-yl)imidazo[4,5-b]pyrazin-5-yl]phenol
CID 153382907
5-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-2-[6-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]phenol
CID 137197289
7-methyl-3-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]pyridazin-3-yl]naphthalen-2-ol;5-methyl-2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]pyridazin-3-yl]phenol;2-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]-5-(2,4,5-trimethylphenyl)-1,3,4-thiadiazole
CID 161315410
(Z)-2-[3-chloro-4-[(Z)-3-(2,2,6,6-tetramethylpiperidin-4-yl)prop-2-enimidoyl]phenyl]-3-iminoprop-1-en-1-amine
CID 142497853
4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-N-[(5,5-dimethylpyrrolidin-3-yl)methyl]-2-methanimidoylaniline
CID 145005390
5-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-2-[6-(1-methyl-2H-pyridin-4-yl)pyridazin-3-yl]phenol
CID 145330467
3-[4-(1H-pyrazol-4-yl)phenyl]-6-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]pyridazine
CID 90041398
(Z)-4-[4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-2-fluorophenyl]-4-imino-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)but-2-enimidamide
CID 145330517
5-[4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-2,6-difluorophenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine
CID 90317097
[3-[(Z)-1-amino-3-iminoprop-1-en-2-yl]phenyl] [N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)carbamimidoyl]sulfanylmethanimidate
CID 129221261

Frequently Asked Questions

What is the IUPAC name of (Z)-3-imino-2-[3-methyl-4-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]pyridazin-3-yl]phenyl]prop-1-en-1-amine?
The IUPAC name of (Z)-3-imino-2-[3-methyl-4-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]pyridazin-3-yl]phenyl]prop-1-en-1-amine (CID 166913727) is (Z)-3-imino-2-[3-methyl-4-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]pyridazin-3-yl]phenyl]prop-1-en-1-amine.
What is the SMILES notation for (Z)-3-imino-2-[3-methyl-4-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]pyridazin-3-yl]phenyl]prop-1-en-1-amine?
The canonical SMILES for (Z)-3-imino-2-[3-methyl-4-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]pyridazin-3-yl]phenyl]prop-1-en-1-amine is [H]/N=C/C(=C\N)c1ccc(-c2ccc(CC3CC(C)(C)NC(C)(C)C3)nn2)c(C)c1.
What is the InChIKey of (Z)-3-imino-2-[3-methyl-4-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]pyridazin-3-yl]phenyl]prop-1-en-1-amine?
The InChIKey is OTTFBZQCKHLTLT-TUSQNCHVSA-N. The full InChI is InChI=1S/C24H33N5/c1-16-10-18(19(14-25)15-26)6-8-21(16)22-9-7-20(27-28-22)11-17-12-23(2,3)29-24(4,5)13-17/h6-10,14-15,17,25,29H,11-13,26H2,1-5H3/b19-15+,25-14+.
What are the key properties of (Z)-3-imino-2-[3-methyl-4-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]pyridazin-3-yl]phenyl]prop-1-en-1-amine?
(Z)-3-imino-2-[3-methyl-4-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]pyridazin-3-yl]phenyl]prop-1-en-1-amine has a molecular weight of 391.56 g/mol, XLogP of 4.50, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-imino-2-[3-methyl-4-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]pyridazin-3-yl]phenyl]prop-1-en-1-amine is sourced from PubChem (CID 166913727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).