(3Z,4Z)-3-ethylidene-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-prop-2-enylidenecyclopentan-1-amine

C17H23N — CID 144575315

IUPAC(3Z,4Z)-3-ethylidene-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-prop-2-enylidenecyclopentan-1-amine
SMILESC=C/C=C1/CC(NC(/C=C\C)=C/C=C)C/C1=C/C
InChIInChI=1S/C17H23N/c1-5-9-15-13-17(12-14(15)8-4)18-16(10-6-2)11-7-3/h5-11,17-18H,1-2,12-13H2,3-4H3/b11-7-,14-8-,15-9-,16-10+
InChIKeySUJBIXQFUJHQFU-ZJGPKUCVSA-N
MW241.38 g/mol
LogP4.44
Rot. Bonds5

About (3Z,4Z)-3-ethylidene-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-prop-2-enylidenecyclopentan-1-amine

(3Z,4Z)-3-ethylidene-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-prop-2-enylidenecyclopentan-1-amine (PubChem CID 144575315) has the molecular formula C17H23N and a molecular weight of 241.38 g/mol. Its IUPAC name is (3Z,4Z)-3-ethylidene-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-prop-2-enylidenecyclopentan-1-amine.

Molecular Properties

Compound Name(3Z,4Z)-3-ethylidene-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-prop-2-enylidenecyclopentan-1-amine
PubChem CID144575315
Molecular FormulaC17H23N
Molecular Weight241.38 g/mol
Exact Mass241.18
IUPAC Name(3Z,4Z)-3-ethylidene-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-prop-2-enylidenecyclopentan-1-amine
SMILESC=C/C=C1/CC(NC(/C=C\C)=C/C=C)C/C1=C/C
InChIInChI=1S/C17H23N/c1-5-9-15-13-17(12-14(15)8-4)18-16(10-6-2)11-7-3/h5-11,17-18H,1-2,12-13H2,3-4H3/b11-7-,14-8-,15-9-,16-10+
InChIKeySUJBIXQFUJHQFU-ZJGPKUCVSA-N
XLogP4.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 54.44
H-Bond Donors ≤ 51
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 (3Z,4Z)-3-ethylidene-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-prop-2-enylidenecyclopentan-1-amine?
The IUPAC name of (3Z,4Z)-3-ethylidene-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-prop-2-enylidenecyclopentan-1-amine (CID 144575315) is (3Z,4Z)-3-ethylidene-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-prop-2-enylidenecyclopentan-1-amine.
What is the SMILES notation for (3Z,4Z)-3-ethylidene-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-prop-2-enylidenecyclopentan-1-amine?
The canonical SMILES for (3Z,4Z)-3-ethylidene-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-prop-2-enylidenecyclopentan-1-amine is C=C/C=C1/CC(NC(/C=C\C)=C/C=C)C/C1=C/C.
What is the InChIKey of (3Z,4Z)-3-ethylidene-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-prop-2-enylidenecyclopentan-1-amine?
The InChIKey is SUJBIXQFUJHQFU-ZJGPKUCVSA-N. The full InChI is InChI=1S/C17H23N/c1-5-9-15-13-17(12-14(15)8-4)18-16(10-6-2)11-7-3/h5-11,17-18H,1-2,12-13H2,3-4H3/b11-7-,14-8-,15-9-,16-10+.
What are the key properties of (3Z,4Z)-3-ethylidene-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-prop-2-enylidenecyclopentan-1-amine?
(3Z,4Z)-3-ethylidene-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-prop-2-enylidenecyclopentan-1-amine has a molecular weight of 241.38 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,4Z)-3-ethylidene-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-prop-2-enylidenecyclopentan-1-amine is sourced from PubChem (CID 144575315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).