(1E,3Z,5Z)-5,6-bis(ethenyl)-N,3-dimethyl-1-(2-methylidenecyclopentylidene)-9-pyrrolidin-1-ylnona-3,5-dien-1-amine

C25H38N2 — CID 130356544

IUPAC(1E,3Z,5Z)-5,6-bis(ethenyl)-N,3-dimethyl-1-(2-methylidenecyclopentylidene)-9-pyrrolidin-1-ylnona-3,5-dien-1-amine
SMILESC=CC(/C=C(/C)C/C(NC)=C1/CCCC1=C)=C(/C=C)CCCN1CCCC1
InChIInChI=1S/C25H38N2/c1-6-22(13-11-17-27-15-8-9-16-27)23(7-2)18-20(3)19-25(26-5)24-14-10-12-21(24)4/h6-7,18,26H,1-2,4,8-17,19H2,3,5H3/b20-18-,23-22+,25-24+
InChIKeyNJKPKJPVDUFIBT-KTSHNBFVSA-N
MW366.59 g/mol
LogP6.08
Rot. Bonds10

About (1E,3Z,5Z)-5,6-bis(ethenyl)-N,3-dimethyl-1-(2-methylidenecyclopentylidene)-9-pyrrolidin-1-ylnona-3,5-dien-1-amine

(1E,3Z,5Z)-5,6-bis(ethenyl)-N,3-dimethyl-1-(2-methylidenecyclopentylidene)-9-pyrrolidin-1-ylnona-3,5-dien-1-amine (PubChem CID 130356544) has the molecular formula C25H38N2 and a molecular weight of 366.59 g/mol. Its IUPAC name is (1E,3Z,5Z)-5,6-bis(ethenyl)-N,3-dimethyl-1-(2-methylidenecyclopentylidene)-9-pyrrolidin-1-ylnona-3,5-dien-1-amine.

Molecular Properties

Compound Name(1E,3Z,5Z)-5,6-bis(ethenyl)-N,3-dimethyl-1-(2-methylidenecyclopentylidene)-9-pyrrolidin-1-ylnona-3,5-dien-1-amine
PubChem CID130356544
Molecular FormulaC25H38N2
Molecular Weight366.59 g/mol
Exact Mass366.30
IUPAC Name(1E,3Z,5Z)-5,6-bis(ethenyl)-N,3-dimethyl-1-(2-methylidenecyclopentylidene)-9-pyrrolidin-1-ylnona-3,5-dien-1-amine
SMILESC=CC(/C=C(/C)C/C(NC)=C1/CCCC1=C)=C(/C=C)CCCN1CCCC1
InChIInChI=1S/C25H38N2/c1-6-22(13-11-17-27-15-8-9-16-27)23(7-2)18-20(3)19-25(26-5)24-14-10-12-21(24)4/h6-7,18,26H,1-2,4,8-17,19H2,3,5H3/b20-18-,23-22+,25-24+
InChIKeyNJKPKJPVDUFIBT-KTSHNBFVSA-N
XLogP6.08
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.59
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1E,3Z,5Z)-5,6-bis(ethenyl)-N,3-dimethyl-1-(2-methylidenecyclopentylidene)-9-pyrrolidin-1-ylnona-3,5-dien-1-amine?
The IUPAC name of (1E,3Z,5Z)-5,6-bis(ethenyl)-N,3-dimethyl-1-(2-methylidenecyclopentylidene)-9-pyrrolidin-1-ylnona-3,5-dien-1-amine (CID 130356544) is (1E,3Z,5Z)-5,6-bis(ethenyl)-N,3-dimethyl-1-(2-methylidenecyclopentylidene)-9-pyrrolidin-1-ylnona-3,5-dien-1-amine.
What is the SMILES notation for (1E,3Z,5Z)-5,6-bis(ethenyl)-N,3-dimethyl-1-(2-methylidenecyclopentylidene)-9-pyrrolidin-1-ylnona-3,5-dien-1-amine?
The canonical SMILES for (1E,3Z,5Z)-5,6-bis(ethenyl)-N,3-dimethyl-1-(2-methylidenecyclopentylidene)-9-pyrrolidin-1-ylnona-3,5-dien-1-amine is C=CC(/C=C(/C)C/C(NC)=C1/CCCC1=C)=C(/C=C)CCCN1CCCC1.
What is the InChIKey of (1E,3Z,5Z)-5,6-bis(ethenyl)-N,3-dimethyl-1-(2-methylidenecyclopentylidene)-9-pyrrolidin-1-ylnona-3,5-dien-1-amine?
The InChIKey is NJKPKJPVDUFIBT-KTSHNBFVSA-N. The full InChI is InChI=1S/C25H38N2/c1-6-22(13-11-17-27-15-8-9-16-27)23(7-2)18-20(3)19-25(26-5)24-14-10-12-21(24)4/h6-7,18,26H,1-2,4,8-17,19H2,3,5H3/b20-18-,23-22+,25-24+.
What are the key properties of (1E,3Z,5Z)-5,6-bis(ethenyl)-N,3-dimethyl-1-(2-methylidenecyclopentylidene)-9-pyrrolidin-1-ylnona-3,5-dien-1-amine?
(1E,3Z,5Z)-5,6-bis(ethenyl)-N,3-dimethyl-1-(2-methylidenecyclopentylidene)-9-pyrrolidin-1-ylnona-3,5-dien-1-amine has a molecular weight of 366.59 g/mol, XLogP of 6.08, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z,5Z)-5,6-bis(ethenyl)-N,3-dimethyl-1-(2-methylidenecyclopentylidene)-9-pyrrolidin-1-ylnona-3,5-dien-1-amine is sourced from PubChem (CID 130356544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).