(Z,1Z)-1-[3-methyl-5-methylidene-4,4-diphenyl-2-[(Z)-prop-1-enyl]cyclopent-2-en-1-ylidene]but-2-en-1-amine

C26H27N — CID 166649419

IUPAC(Z,1Z)-1-[3-methyl-5-methylidene-4,4-diphenyl-2-[(Z)-prop-1-enyl]cyclopent-2-en-1-ylidene]but-2-en-1-amine
SMILESC=C1/C(=C(N)\C=C/C)C(/C=C\C)=C(C)C1(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H27N/c1-5-13-23-19(3)26(21-15-9-7-10-16-21,22-17-11-8-12-18-22)20(4)25(23)24(27)14-6-2/h5-18H,4,27H2,1-3H3/b13-5-,14-6-,25-24-
InChIKeyWGWSCNOHJXKDDI-MLFHTHDPSA-N
MW353.51 g/mol
LogP6.22
Rot. Bonds4

About (Z,1Z)-1-[3-methyl-5-methylidene-4,4-diphenyl-2-[(Z)-prop-1-enyl]cyclopent-2-en-1-ylidene]but-2-en-1-amine

(Z,1Z)-1-[3-methyl-5-methylidene-4,4-diphenyl-2-[(Z)-prop-1-enyl]cyclopent-2-en-1-ylidene]but-2-en-1-amine (PubChem CID 166649419) has the molecular formula C26H27N and a molecular weight of 353.51 g/mol. Its IUPAC name is (Z,1Z)-1-[3-methyl-5-methylidene-4,4-diphenyl-2-[(Z)-prop-1-enyl]cyclopent-2-en-1-ylidene]but-2-en-1-amine.

Molecular Properties

Compound Name(Z,1Z)-1-[3-methyl-5-methylidene-4,4-diphenyl-2-[(Z)-prop-1-enyl]cyclopent-2-en-1-ylidene]but-2-en-1-amine
PubChem CID166649419
Molecular FormulaC26H27N
Molecular Weight353.51 g/mol
Exact Mass353.21
IUPAC Name(Z,1Z)-1-[3-methyl-5-methylidene-4,4-diphenyl-2-[(Z)-prop-1-enyl]cyclopent-2-en-1-ylidene]but-2-en-1-amine
SMILESC=C1/C(=C(N)\C=C/C)C(/C=C\C)=C(C)C1(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H27N/c1-5-13-23-19(3)26(21-15-9-7-10-16-21,22-17-11-8-12-18-22)20(4)25(23)24(27)14-6-2/h5-18H,4,27H2,1-3H3/b13-5-,14-6-,25-24-
InChIKeyWGWSCNOHJXKDDI-MLFHTHDPSA-N
XLogP6.22
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.51
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (Z,1Z)-1-[3-methyl-5-methylidene-4,4-diphenyl-2-[(Z)-prop-1-enyl]cyclopent-2-en-1-ylidene]but-2-en-1-amine?
The IUPAC name of (Z,1Z)-1-[3-methyl-5-methylidene-4,4-diphenyl-2-[(Z)-prop-1-enyl]cyclopent-2-en-1-ylidene]but-2-en-1-amine (CID 166649419) is (Z,1Z)-1-[3-methyl-5-methylidene-4,4-diphenyl-2-[(Z)-prop-1-enyl]cyclopent-2-en-1-ylidene]but-2-en-1-amine.
What is the SMILES notation for (Z,1Z)-1-[3-methyl-5-methylidene-4,4-diphenyl-2-[(Z)-prop-1-enyl]cyclopent-2-en-1-ylidene]but-2-en-1-amine?
The canonical SMILES for (Z,1Z)-1-[3-methyl-5-methylidene-4,4-diphenyl-2-[(Z)-prop-1-enyl]cyclopent-2-en-1-ylidene]but-2-en-1-amine is C=C1/C(=C(N)\C=C/C)C(/C=C\C)=C(C)C1(c1ccccc1)c1ccccc1.
What is the InChIKey of (Z,1Z)-1-[3-methyl-5-methylidene-4,4-diphenyl-2-[(Z)-prop-1-enyl]cyclopent-2-en-1-ylidene]but-2-en-1-amine?
The InChIKey is WGWSCNOHJXKDDI-MLFHTHDPSA-N. The full InChI is InChI=1S/C26H27N/c1-5-13-23-19(3)26(21-15-9-7-10-16-21,22-17-11-8-12-18-22)20(4)25(23)24(27)14-6-2/h5-18H,4,27H2,1-3H3/b13-5-,14-6-,25-24-.
What are the key properties of (Z,1Z)-1-[3-methyl-5-methylidene-4,4-diphenyl-2-[(Z)-prop-1-enyl]cyclopent-2-en-1-ylidene]but-2-en-1-amine?
(Z,1Z)-1-[3-methyl-5-methylidene-4,4-diphenyl-2-[(Z)-prop-1-enyl]cyclopent-2-en-1-ylidene]but-2-en-1-amine has a molecular weight of 353.51 g/mol, XLogP of 6.22, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,1Z)-1-[3-methyl-5-methylidene-4,4-diphenyl-2-[(Z)-prop-1-enyl]cyclopent-2-en-1-ylidene]but-2-en-1-amine is sourced from PubChem (CID 166649419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).