4-[3-methyl-4,7-dimethylidene-2-[(Z)-prop-1-enyl]cyclohept-2-en-1-ylidene]-1-[(3Z,5Z)-4-methyl-2-methylidenehepta-3,5-dienyl]piperidine

C27H37N — CID 138614878

IUPAC4-[3-methyl-4,7-dimethylidene-2-[(Z)-prop-1-enyl]cyclohept-2-en-1-ylidene]-1-[(3Z,5Z)-4-methyl-2-methylidenehepta-3,5-dienyl]piperidine
SMILESC=C(/C=C(C)\C=C/C)CN1CCC(=C2C(=C)CCC(=C)C(C)=C2/C=C\C)CC1
InChIInChI=1S/C27H37N/c1-8-10-20(3)18-21(4)19-28-16-14-25(15-17-28)27-23(6)13-12-22(5)24(7)26(27)11-9-2/h8-11,18H,4-6,12-17,19H2,1-3,7H3/b10-8-,11-9-,20-18-
InChIKeyUEUVMJHPYZDWCE-KDZOLRJNSA-N
MW375.60 g/mol
LogP7.26
Rot. Bonds5

About 4-[3-methyl-4,7-dimethylidene-2-[(Z)-prop-1-enyl]cyclohept-2-en-1-ylidene]-1-[(3Z,5Z)-4-methyl-2-methylidenehepta-3,5-dienyl]piperidine

4-[3-methyl-4,7-dimethylidene-2-[(Z)-prop-1-enyl]cyclohept-2-en-1-ylidene]-1-[(3Z,5Z)-4-methyl-2-methylidenehepta-3,5-dienyl]piperidine (PubChem CID 138614878) has the molecular formula C27H37N and a molecular weight of 375.60 g/mol. Its IUPAC name is 4-[3-methyl-4,7-dimethylidene-2-[(Z)-prop-1-enyl]cyclohept-2-en-1-ylidene]-1-[(3Z,5Z)-4-methyl-2-methylidenehepta-3,5-dienyl]piperidine.

Molecular Properties

Compound Name4-[3-methyl-4,7-dimethylidene-2-[(Z)-prop-1-enyl]cyclohept-2-en-1-ylidene]-1-[(3Z,5Z)-4-methyl-2-methylidenehepta-3,5-dienyl]piperidine
PubChem CID138614878
Molecular FormulaC27H37N
Molecular Weight375.60 g/mol
Exact Mass375.29
IUPAC Name4-[3-methyl-4,7-dimethylidene-2-[(Z)-prop-1-enyl]cyclohept-2-en-1-ylidene]-1-[(3Z,5Z)-4-methyl-2-methylidenehepta-3,5-dienyl]piperidine
SMILESC=C(/C=C(C)\C=C/C)CN1CCC(=C2C(=C)CCC(=C)C(C)=C2/C=C\C)CC1
InChIInChI=1S/C27H37N/c1-8-10-20(3)18-21(4)19-28-16-14-25(15-17-28)27-23(6)13-12-22(5)24(7)26(27)11-9-2/h8-11,18H,4-6,12-17,19H2,1-3,7H3/b10-8-,11-9-,20-18-
InChIKeyUEUVMJHPYZDWCE-KDZOLRJNSA-N
XLogP7.26
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.60
LogP ≤ 57.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[3-methyl-4,7-dimethylidene-2-[(Z)-prop-1-enyl]cyclohept-2-en-1-ylidene]-1-[(3Z,5Z)-4-methyl-2-methylidenehepta-3,5-dienyl]piperidine?
The IUPAC name of 4-[3-methyl-4,7-dimethylidene-2-[(Z)-prop-1-enyl]cyclohept-2-en-1-ylidene]-1-[(3Z,5Z)-4-methyl-2-methylidenehepta-3,5-dienyl]piperidine (CID 138614878) is 4-[3-methyl-4,7-dimethylidene-2-[(Z)-prop-1-enyl]cyclohept-2-en-1-ylidene]-1-[(3Z,5Z)-4-methyl-2-methylidenehepta-3,5-dienyl]piperidine.
What is the SMILES notation for 4-[3-methyl-4,7-dimethylidene-2-[(Z)-prop-1-enyl]cyclohept-2-en-1-ylidene]-1-[(3Z,5Z)-4-methyl-2-methylidenehepta-3,5-dienyl]piperidine?
The canonical SMILES for 4-[3-methyl-4,7-dimethylidene-2-[(Z)-prop-1-enyl]cyclohept-2-en-1-ylidene]-1-[(3Z,5Z)-4-methyl-2-methylidenehepta-3,5-dienyl]piperidine is C=C(/C=C(C)\C=C/C)CN1CCC(=C2C(=C)CCC(=C)C(C)=C2/C=C\C)CC1.
What is the InChIKey of 4-[3-methyl-4,7-dimethylidene-2-[(Z)-prop-1-enyl]cyclohept-2-en-1-ylidene]-1-[(3Z,5Z)-4-methyl-2-methylidenehepta-3,5-dienyl]piperidine?
The InChIKey is UEUVMJHPYZDWCE-KDZOLRJNSA-N. The full InChI is InChI=1S/C27H37N/c1-8-10-20(3)18-21(4)19-28-16-14-25(15-17-28)27-23(6)13-12-22(5)24(7)26(27)11-9-2/h8-11,18H,4-6,12-17,19H2,1-3,7H3/b10-8-,11-9-,20-18-.
What are the key properties of 4-[3-methyl-4,7-dimethylidene-2-[(Z)-prop-1-enyl]cyclohept-2-en-1-ylidene]-1-[(3Z,5Z)-4-methyl-2-methylidenehepta-3,5-dienyl]piperidine?
4-[3-methyl-4,7-dimethylidene-2-[(Z)-prop-1-enyl]cyclohept-2-en-1-ylidene]-1-[(3Z,5Z)-4-methyl-2-methylidenehepta-3,5-dienyl]piperidine has a molecular weight of 375.60 g/mol, XLogP of 7.26, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-methyl-4,7-dimethylidene-2-[(Z)-prop-1-enyl]cyclohept-2-en-1-ylidene]-1-[(3Z,5Z)-4-methyl-2-methylidenehepta-3,5-dienyl]piperidine is sourced from PubChem (CID 138614878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).