(3Z,5Z)-4-methyl-7-[(3Z,5E)-7-methylidene-8-(2H-pyrrol-4-yl)-1,2-dihydroazonin-5-yl]octa-3,5-dien-3-amine

C22H29N3 — CID 174089843

IUPAC(3Z,5Z)-4-methyl-7-[(3Z,5E)-7-methylidene-8-(2H-pyrrol-4-yl)-1,2-dihydroazonin-5-yl]octa-3,5-dien-3-amine
SMILESC=C1/C=C(C(C)/C=C\C(C)=C(/N)CC)\C=C/CNC=C1C1=CCN=C1
InChIInChI=1S/C22H29N3/c1-5-22(23)17(3)9-8-16(2)19-7-6-11-24-15-21(18(4)13-19)20-10-12-25-14-20/h6-10,13-16,24H,4-5,11-12,23H2,1-3H3/b7-6-,9-8-,19-13+,21-15?,22-17-
InChIKeyBBMOYDBAKUOGNS-HFJWEGNRSA-N
MW335.50 g/mol
LogP4.36
Rot. Bonds5

About (3Z,5Z)-4-methyl-7-[(3Z,5E)-7-methylidene-8-(2H-pyrrol-4-yl)-1,2-dihydroazonin-5-yl]octa-3,5-dien-3-amine

(3Z,5Z)-4-methyl-7-[(3Z,5E)-7-methylidene-8-(2H-pyrrol-4-yl)-1,2-dihydroazonin-5-yl]octa-3,5-dien-3-amine (PubChem CID 174089843) has the molecular formula C22H29N3 and a molecular weight of 335.50 g/mol. Its IUPAC name is (3Z,5Z)-4-methyl-7-[(3Z,5E)-7-methylidene-8-(2H-pyrrol-4-yl)-1,2-dihydroazonin-5-yl]octa-3,5-dien-3-amine.

Molecular Properties

Compound Name(3Z,5Z)-4-methyl-7-[(3Z,5E)-7-methylidene-8-(2H-pyrrol-4-yl)-1,2-dihydroazonin-5-yl]octa-3,5-dien-3-amine
PubChem CID174089843
Molecular FormulaC22H29N3
Molecular Weight335.50 g/mol
Exact Mass335.24
IUPAC Name(3Z,5Z)-4-methyl-7-[(3Z,5E)-7-methylidene-8-(2H-pyrrol-4-yl)-1,2-dihydroazonin-5-yl]octa-3,5-dien-3-amine
SMILESC=C1/C=C(C(C)/C=C\C(C)=C(/N)CC)\C=C/CNC=C1C1=CCN=C1
InChIInChI=1S/C22H29N3/c1-5-22(23)17(3)9-8-16(2)19-7-6-11-24-15-21(18(4)13-19)20-10-12-25-14-20/h6-10,13-16,24H,4-5,11-12,23H2,1-3H3/b7-6-,9-8-,19-13+,21-15?,22-17-
InChIKeyBBMOYDBAKUOGNS-HFJWEGNRSA-N
XLogP4.36
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.50
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3Z,5Z)-4-methyl-7-[(3Z,5E)-7-methylidene-8-(2H-pyrrol-4-yl)-1,2-dihydroazonin-5-yl]octa-3,5-dien-3-amine with MolForge

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Related Compounds

2,5-dimethyl-10a,11-dihydro-4aH-pyrido[3,4-a]carbazol-2-ium
CID 172049230
(3Z)-5,6-bis(ethenyl)-N-methyl-4-(methyliminomethyl)octa-1,3,5,7-tetraen-3-amine
CID 132046352
N-ethenyl-3-methyl-5-propan-2-ylazepin-3-amine
CID 135136374
(Z)-2-[(7E)-7-(4-imino-1-methyliminobutan-2-ylidene)-2-methyl-1,4-dihydroazepin-4-yl]-3-methyliminoprop-1-en-1-amine
CID 145558732
N-[[4-(5-methyl-3H-pyrrol-4-yl)cyclohexa-2,4-dien-1-yl]methyl]ethenamine
CID 146358316
(3Z,5Z)-7-[[(2E)-2,5-dimethylhepta-2,6-dienylidene]amino]-N-ethylhepta-1,3,5-trien-2-amine
CID 146359455
(Z)-N-methyl-3-[7-methyl-7-propan-2-yl-4-[(E)-prop-1-enyl]azepin-3-yl]prop-2-en-1-amine
CID 153398362
(1Z,3E,4E,7Z)-2-(ethylideneamino)-N,5-dimethyl-6-methylidene-9-methylimino-3-propylidenenona-1,4,7-trien-1-amine
CID 154948939
1-(3a,4-dihydro-1H-indol-3-yl)-N-methylmethanimine
CID 167090956
N,3-dimethyl-2-(propan-2-yliminomethyl)cyclohexa-1,5-dien-1-amine
CID 169620730
(E)-N-ethenyl-5-methyl-4-methylidene-3-(prop-2-enylideneamino)hex-2-en-2-amine
CID 170038183
N-methyl-1-(2-propan-2-yl-2H-azet-3-ylidene)prop-2-en-1-amine
CID 170204636

Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-4-methyl-7-[(3Z,5E)-7-methylidene-8-(2H-pyrrol-4-yl)-1,2-dihydroazonin-5-yl]octa-3,5-dien-3-amine?
The IUPAC name of (3Z,5Z)-4-methyl-7-[(3Z,5E)-7-methylidene-8-(2H-pyrrol-4-yl)-1,2-dihydroazonin-5-yl]octa-3,5-dien-3-amine (CID 174089843) is (3Z,5Z)-4-methyl-7-[(3Z,5E)-7-methylidene-8-(2H-pyrrol-4-yl)-1,2-dihydroazonin-5-yl]octa-3,5-dien-3-amine.
What is the SMILES notation for (3Z,5Z)-4-methyl-7-[(3Z,5E)-7-methylidene-8-(2H-pyrrol-4-yl)-1,2-dihydroazonin-5-yl]octa-3,5-dien-3-amine?
The canonical SMILES for (3Z,5Z)-4-methyl-7-[(3Z,5E)-7-methylidene-8-(2H-pyrrol-4-yl)-1,2-dihydroazonin-5-yl]octa-3,5-dien-3-amine is C=C1/C=C(C(C)/C=C\C(C)=C(/N)CC)\C=C/CNC=C1C1=CCN=C1.
What is the InChIKey of (3Z,5Z)-4-methyl-7-[(3Z,5E)-7-methylidene-8-(2H-pyrrol-4-yl)-1,2-dihydroazonin-5-yl]octa-3,5-dien-3-amine?
The InChIKey is BBMOYDBAKUOGNS-HFJWEGNRSA-N. The full InChI is InChI=1S/C22H29N3/c1-5-22(23)17(3)9-8-16(2)19-7-6-11-24-15-21(18(4)13-19)20-10-12-25-14-20/h6-10,13-16,24H,4-5,11-12,23H2,1-3H3/b7-6-,9-8-,19-13+,21-15?,22-17-.
What are the key properties of (3Z,5Z)-4-methyl-7-[(3Z,5E)-7-methylidene-8-(2H-pyrrol-4-yl)-1,2-dihydroazonin-5-yl]octa-3,5-dien-3-amine?
(3Z,5Z)-4-methyl-7-[(3Z,5E)-7-methylidene-8-(2H-pyrrol-4-yl)-1,2-dihydroazonin-5-yl]octa-3,5-dien-3-amine has a molecular weight of 335.50 g/mol, XLogP of 4.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-4-methyl-7-[(3Z,5E)-7-methylidene-8-(2H-pyrrol-4-yl)-1,2-dihydroazonin-5-yl]octa-3,5-dien-3-amine is sourced from PubChem (CID 174089843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).