(Z)-3-[7-[(2E,4Z,8Z)-5,9-dimethyl-6-methylideneundeca-2,4,8,10-tetraen-3-yl]-4-methylidene-3,5-dihydroazepin-2-yl]-N-methyl-1-(4-methylidenecycloheptyl)prop-2-en-1-amine

C33H46N2 — CID 170021005

IUPAC(Z)-3-[7-[(2E,4Z,8Z)-5,9-dimethyl-6-methylideneundeca-2,4,8,10-tetraen-3-yl]-4-methylidene-3,5-dihydroazepin-2-yl]-N-methyl-1-(4-methylidenecycloheptyl)prop-2-en-1-amine
SMILESC=C/C(C)=C\CC(=C)/C(C)=C\C(=C/C)C1=CCC(=C)CC(/C=C\C(NC)C2CCCC(=C)CC2)=N1
InChIInChI=1S/C33H46N2/c1-9-24(3)14-17-27(6)28(7)23-29(10-2)33-20-16-26(5)22-31(35-33)19-21-32(34-8)30-13-11-12-25(4)15-18-30/h9-10,14,19-21,23,30,32,34H,1,4-6,11-13,15-18,22H2,2-3,7-8H3/b21-19-,24-14-,28-23-,29-10+
InChIKeyGLEKNGAFUZEHFZ-UAUROLQCSA-N
MW470.75 g/mol
LogP8.91
Rot. Bonds10

About (Z)-3-[7-[(2E,4Z,8Z)-5,9-dimethyl-6-methylideneundeca-2,4,8,10-tetraen-3-yl]-4-methylidene-3,5-dihydroazepin-2-yl]-N-methyl-1-(4-methylidenecycloheptyl)prop-2-en-1-amine

(Z)-3-[7-[(2E,4Z,8Z)-5,9-dimethyl-6-methylideneundeca-2,4,8,10-tetraen-3-yl]-4-methylidene-3,5-dihydroazepin-2-yl]-N-methyl-1-(4-methylidenecycloheptyl)prop-2-en-1-amine (PubChem CID 170021005) has the molecular formula C33H46N2 and a molecular weight of 470.75 g/mol. Its IUPAC name is (Z)-3-[7-[(2E,4Z,8Z)-5,9-dimethyl-6-methylideneundeca-2,4,8,10-tetraen-3-yl]-4-methylidene-3,5-dihydroazepin-2-yl]-N-methyl-1-(4-methylidenecycloheptyl)prop-2-en-1-amine.

Molecular Properties

Compound Name(Z)-3-[7-[(2E,4Z,8Z)-5,9-dimethyl-6-methylideneundeca-2,4,8,10-tetraen-3-yl]-4-methylidene-3,5-dihydroazepin-2-yl]-N-methyl-1-(4-methylidenecycloheptyl)prop-2-en-1-amine
PubChem CID170021005
Molecular FormulaC33H46N2
Molecular Weight470.75 g/mol
Exact Mass470.37
IUPAC Name(Z)-3-[7-[(2E,4Z,8Z)-5,9-dimethyl-6-methylideneundeca-2,4,8,10-tetraen-3-yl]-4-methylidene-3,5-dihydroazepin-2-yl]-N-methyl-1-(4-methylidenecycloheptyl)prop-2-en-1-amine
SMILESC=C/C(C)=C\CC(=C)/C(C)=C\C(=C/C)C1=CCC(=C)CC(/C=C\C(NC)C2CCCC(=C)CC2)=N1
InChIInChI=1S/C33H46N2/c1-9-24(3)14-17-27(6)28(7)23-29(10-2)33-20-16-26(5)22-31(35-33)19-21-32(34-8)30-13-11-12-25(4)15-18-30/h9-10,14,19-21,23,30,32,34H,1,4-6,11-13,15-18,22H2,2-3,7-8H3/b21-19-,24-14-,28-23-,29-10+
InChIKeyGLEKNGAFUZEHFZ-UAUROLQCSA-N
XLogP8.91
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.75
LogP ≤ 58.91
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'}

Analyze (Z)-3-[7-[(2E,4Z,8Z)-5,9-dimethyl-6-methylideneundeca-2,4,8,10-tetraen-3-yl]-4-methylidene-3,5-dihydroazepin-2-yl]-N-methyl-1-(4-methylidenecycloheptyl)prop-2-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[7-[(2E,4Z,8Z)-5,9-dimethyl-6-methylideneundeca-2,4,8,10-tetraen-3-yl]-4-methylidene-3,5-dihydroazepin-2-yl]-N-methyl-1-(4-methylidenecycloheptyl)prop-2-en-1-amine?
The IUPAC name of (Z)-3-[7-[(2E,4Z,8Z)-5,9-dimethyl-6-methylideneundeca-2,4,8,10-tetraen-3-yl]-4-methylidene-3,5-dihydroazepin-2-yl]-N-methyl-1-(4-methylidenecycloheptyl)prop-2-en-1-amine (CID 170021005) is (Z)-3-[7-[(2E,4Z,8Z)-5,9-dimethyl-6-methylideneundeca-2,4,8,10-tetraen-3-yl]-4-methylidene-3,5-dihydroazepin-2-yl]-N-methyl-1-(4-methylidenecycloheptyl)prop-2-en-1-amine.
What is the SMILES notation for (Z)-3-[7-[(2E,4Z,8Z)-5,9-dimethyl-6-methylideneundeca-2,4,8,10-tetraen-3-yl]-4-methylidene-3,5-dihydroazepin-2-yl]-N-methyl-1-(4-methylidenecycloheptyl)prop-2-en-1-amine?
The canonical SMILES for (Z)-3-[7-[(2E,4Z,8Z)-5,9-dimethyl-6-methylideneundeca-2,4,8,10-tetraen-3-yl]-4-methylidene-3,5-dihydroazepin-2-yl]-N-methyl-1-(4-methylidenecycloheptyl)prop-2-en-1-amine is C=C/C(C)=C\CC(=C)/C(C)=C\C(=C/C)C1=CCC(=C)CC(/C=C\C(NC)C2CCCC(=C)CC2)=N1.
What is the InChIKey of (Z)-3-[7-[(2E,4Z,8Z)-5,9-dimethyl-6-methylideneundeca-2,4,8,10-tetraen-3-yl]-4-methylidene-3,5-dihydroazepin-2-yl]-N-methyl-1-(4-methylidenecycloheptyl)prop-2-en-1-amine?
The InChIKey is GLEKNGAFUZEHFZ-UAUROLQCSA-N. The full InChI is InChI=1S/C33H46N2/c1-9-24(3)14-17-27(6)28(7)23-29(10-2)33-20-16-26(5)22-31(35-33)19-21-32(34-8)30-13-11-12-25(4)15-18-30/h9-10,14,19-21,23,30,32,34H,1,4-6,11-13,15-18,22H2,2-3,7-8H3/b21-19-,24-14-,28-23-,29-10+.
What are the key properties of (Z)-3-[7-[(2E,4Z,8Z)-5,9-dimethyl-6-methylideneundeca-2,4,8,10-tetraen-3-yl]-4-methylidene-3,5-dihydroazepin-2-yl]-N-methyl-1-(4-methylidenecycloheptyl)prop-2-en-1-amine?
(Z)-3-[7-[(2E,4Z,8Z)-5,9-dimethyl-6-methylideneundeca-2,4,8,10-tetraen-3-yl]-4-methylidene-3,5-dihydroazepin-2-yl]-N-methyl-1-(4-methylidenecycloheptyl)prop-2-en-1-amine has a molecular weight of 470.75 g/mol, XLogP of 8.91, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[7-[(2E,4Z,8Z)-5,9-dimethyl-6-methylideneundeca-2,4,8,10-tetraen-3-yl]-4-methylidene-3,5-dihydroazepin-2-yl]-N-methyl-1-(4-methylidenecycloheptyl)prop-2-en-1-amine is sourced from PubChem (CID 170021005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).