(1Z,3Z)-5-[4-(4-methylcyclohex-2-en-1-yl)-2,3,7,8-tetrahydronaphthalen-1-yl]-1-(2H-pyrrol-5-yl)penta-1,3-dien-1-amine

C26H32N2 — CID 88933904

IUPAC(1Z,3Z)-5-[4-(4-methylcyclohex-2-en-1-yl)-2,3,7,8-tetrahydronaphthalen-1-yl]-1-(2H-pyrrol-5-yl)penta-1,3-dien-1-amine
SMILESCC1C=CC(C2=C3C=CCCC3=C(C/C=C\C=C(/N)C3=NCC=C3)CC2)CC1
InChIInChI=1S/C26H32N2/c1-19-12-14-21(15-13-19)23-17-16-20(22-8-3-4-9-24(22)23)7-2-5-10-25(27)26-11-6-18-28-26/h2,4-6,9-12,14,19,21H,3,7-8,13,15-18,27H2,1H3/b5-2-,25-10-
InChIKeyBAGPWTGBGVZCAU-CQNIOYJISA-N
MW372.56 g/mol
LogP6.13
Rot. Bonds5

About (1Z,3Z)-5-[4-(4-methylcyclohex-2-en-1-yl)-2,3,7,8-tetrahydronaphthalen-1-yl]-1-(2H-pyrrol-5-yl)penta-1,3-dien-1-amine

(1Z,3Z)-5-[4-(4-methylcyclohex-2-en-1-yl)-2,3,7,8-tetrahydronaphthalen-1-yl]-1-(2H-pyrrol-5-yl)penta-1,3-dien-1-amine (PubChem CID 88933904) has the molecular formula C26H32N2 and a molecular weight of 372.56 g/mol. Its IUPAC name is (1Z,3Z)-5-[4-(4-methylcyclohex-2-en-1-yl)-2,3,7,8-tetrahydronaphthalen-1-yl]-1-(2H-pyrrol-5-yl)penta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1Z,3Z)-5-[4-(4-methylcyclohex-2-en-1-yl)-2,3,7,8-tetrahydronaphthalen-1-yl]-1-(2H-pyrrol-5-yl)penta-1,3-dien-1-amine
PubChem CID88933904
Molecular FormulaC26H32N2
Molecular Weight372.56 g/mol
Exact Mass372.26
IUPAC Name(1Z,3Z)-5-[4-(4-methylcyclohex-2-en-1-yl)-2,3,7,8-tetrahydronaphthalen-1-yl]-1-(2H-pyrrol-5-yl)penta-1,3-dien-1-amine
SMILESCC1C=CC(C2=C3C=CCCC3=C(C/C=C\C=C(/N)C3=NCC=C3)CC2)CC1
InChIInChI=1S/C26H32N2/c1-19-12-14-21(15-13-19)23-17-16-20(22-8-3-4-9-24(22)23)7-2-5-10-25(27)26-11-6-18-28-26/h2,4-6,9-12,14,19,21H,3,7-8,13,15-18,27H2,1H3/b5-2-,25-10-
InChIKeyBAGPWTGBGVZCAU-CQNIOYJISA-N
XLogP6.13
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.56
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1Z,3Z)-5-[4-(4-methylcyclohex-2-en-1-yl)-2,3,7,8-tetrahydronaphthalen-1-yl]-1-(2H-pyrrol-5-yl)penta-1,3-dien-1-amine?
The IUPAC name of (1Z,3Z)-5-[4-(4-methylcyclohex-2-en-1-yl)-2,3,7,8-tetrahydronaphthalen-1-yl]-1-(2H-pyrrol-5-yl)penta-1,3-dien-1-amine (CID 88933904) is (1Z,3Z)-5-[4-(4-methylcyclohex-2-en-1-yl)-2,3,7,8-tetrahydronaphthalen-1-yl]-1-(2H-pyrrol-5-yl)penta-1,3-dien-1-amine.
What is the SMILES notation for (1Z,3Z)-5-[4-(4-methylcyclohex-2-en-1-yl)-2,3,7,8-tetrahydronaphthalen-1-yl]-1-(2H-pyrrol-5-yl)penta-1,3-dien-1-amine?
The canonical SMILES for (1Z,3Z)-5-[4-(4-methylcyclohex-2-en-1-yl)-2,3,7,8-tetrahydronaphthalen-1-yl]-1-(2H-pyrrol-5-yl)penta-1,3-dien-1-amine is CC1C=CC(C2=C3C=CCCC3=C(C/C=C\C=C(/N)C3=NCC=C3)CC2)CC1.
What is the InChIKey of (1Z,3Z)-5-[4-(4-methylcyclohex-2-en-1-yl)-2,3,7,8-tetrahydronaphthalen-1-yl]-1-(2H-pyrrol-5-yl)penta-1,3-dien-1-amine?
The InChIKey is BAGPWTGBGVZCAU-CQNIOYJISA-N. The full InChI is InChI=1S/C26H32N2/c1-19-12-14-21(15-13-19)23-17-16-20(22-8-3-4-9-24(22)23)7-2-5-10-25(27)26-11-6-18-28-26/h2,4-6,9-12,14,19,21H,3,7-8,13,15-18,27H2,1H3/b5-2-,25-10-.
What are the key properties of (1Z,3Z)-5-[4-(4-methylcyclohex-2-en-1-yl)-2,3,7,8-tetrahydronaphthalen-1-yl]-1-(2H-pyrrol-5-yl)penta-1,3-dien-1-amine?
(1Z,3Z)-5-[4-(4-methylcyclohex-2-en-1-yl)-2,3,7,8-tetrahydronaphthalen-1-yl]-1-(2H-pyrrol-5-yl)penta-1,3-dien-1-amine has a molecular weight of 372.56 g/mol, XLogP of 6.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z)-5-[4-(4-methylcyclohex-2-en-1-yl)-2,3,7,8-tetrahydronaphthalen-1-yl]-1-(2H-pyrrol-5-yl)penta-1,3-dien-1-amine is sourced from PubChem (CID 88933904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).