(Z)-3-methyl-1-[[(Z)-2-methylhex-4-en-3-ylidene]amino]-6-(6-propan-2-ylpyridazin-3-yl)hept-1-en-2-amine

C22H36N4 — CID 155244327

IUPAC(Z)-3-methyl-1-[[(Z)-2-methylhex-4-en-3-ylidene]amino]-6-(6-propan-2-ylpyridazin-3-yl)hept-1-en-2-amine
SMILESC/C=C\C(=N\C=C(/N)C(C)CCC(C)c1ccc(C(C)C)nn1)C(C)C
InChIInChI=1S/C22H36N4/c1-8-9-20(15(2)3)24-14-19(23)17(6)10-11-18(7)22-13-12-21(16(4)5)25-26-22/h8-9,12-18H,10-11,23H2,1-7H3/b9-8-,19-14-,24-20-
InChIKeyMWOULWUFARFHOS-UDKCHIQDSA-N
MW356.56 g/mol
LogP5.59
Rot. Bonds9

About (Z)-3-methyl-1-[[(Z)-2-methylhex-4-en-3-ylidene]amino]-6-(6-propan-2-ylpyridazin-3-yl)hept-1-en-2-amine

(Z)-3-methyl-1-[[(Z)-2-methylhex-4-en-3-ylidene]amino]-6-(6-propan-2-ylpyridazin-3-yl)hept-1-en-2-amine (PubChem CID 155244327) has the molecular formula C22H36N4 and a molecular weight of 356.56 g/mol. Its IUPAC name is (Z)-3-methyl-1-[[(Z)-2-methylhex-4-en-3-ylidene]amino]-6-(6-propan-2-ylpyridazin-3-yl)hept-1-en-2-amine.

Molecular Properties

Compound Name(Z)-3-methyl-1-[[(Z)-2-methylhex-4-en-3-ylidene]amino]-6-(6-propan-2-ylpyridazin-3-yl)hept-1-en-2-amine
PubChem CID155244327
Molecular FormulaC22H36N4
Molecular Weight356.56 g/mol
Exact Mass356.29
IUPAC Name(Z)-3-methyl-1-[[(Z)-2-methylhex-4-en-3-ylidene]amino]-6-(6-propan-2-ylpyridazin-3-yl)hept-1-en-2-amine
SMILESC/C=C\C(=N\C=C(/N)C(C)CCC(C)c1ccc(C(C)C)nn1)C(C)C
InChIInChI=1S/C22H36N4/c1-8-9-20(15(2)3)24-14-19(23)17(6)10-11-18(7)22-13-12-21(16(4)5)25-26-22/h8-9,12-18H,10-11,23H2,1-7H3/b9-8-,19-14-,24-20-
InChIKeyMWOULWUFARFHOS-UDKCHIQDSA-N
XLogP5.59
TPSA64.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.56
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-methyl-1-[[(Z)-2-methylhex-4-en-3-ylidene]amino]-6-(6-propan-2-ylpyridazin-3-yl)hept-1-en-2-amine?
The IUPAC name of (Z)-3-methyl-1-[[(Z)-2-methylhex-4-en-3-ylidene]amino]-6-(6-propan-2-ylpyridazin-3-yl)hept-1-en-2-amine (CID 155244327) is (Z)-3-methyl-1-[[(Z)-2-methylhex-4-en-3-ylidene]amino]-6-(6-propan-2-ylpyridazin-3-yl)hept-1-en-2-amine.
What is the SMILES notation for (Z)-3-methyl-1-[[(Z)-2-methylhex-4-en-3-ylidene]amino]-6-(6-propan-2-ylpyridazin-3-yl)hept-1-en-2-amine?
The canonical SMILES for (Z)-3-methyl-1-[[(Z)-2-methylhex-4-en-3-ylidene]amino]-6-(6-propan-2-ylpyridazin-3-yl)hept-1-en-2-amine is C/C=C\C(=N\C=C(/N)C(C)CCC(C)c1ccc(C(C)C)nn1)C(C)C.
What is the InChIKey of (Z)-3-methyl-1-[[(Z)-2-methylhex-4-en-3-ylidene]amino]-6-(6-propan-2-ylpyridazin-3-yl)hept-1-en-2-amine?
The InChIKey is MWOULWUFARFHOS-UDKCHIQDSA-N. The full InChI is InChI=1S/C22H36N4/c1-8-9-20(15(2)3)24-14-19(23)17(6)10-11-18(7)22-13-12-21(16(4)5)25-26-22/h8-9,12-18H,10-11,23H2,1-7H3/b9-8-,19-14-,24-20-.
What are the key properties of (Z)-3-methyl-1-[[(Z)-2-methylhex-4-en-3-ylidene]amino]-6-(6-propan-2-ylpyridazin-3-yl)hept-1-en-2-amine?
(Z)-3-methyl-1-[[(Z)-2-methylhex-4-en-3-ylidene]amino]-6-(6-propan-2-ylpyridazin-3-yl)hept-1-en-2-amine has a molecular weight of 356.56 g/mol, XLogP of 5.59, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-methyl-1-[[(Z)-2-methylhex-4-en-3-ylidene]amino]-6-(6-propan-2-ylpyridazin-3-yl)hept-1-en-2-amine is sourced from PubChem (CID 155244327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).