(1E,3E,4Z)-1-cyclopenta-1,3-dien-1-yl-N,2-dimethyl-3-propylidenehepta-1,4-dien-1-amine

C17H25N — CID 138463349

IUPAC(1E,3E,4Z)-1-cyclopenta-1,3-dien-1-yl-N,2-dimethyl-3-propylidenehepta-1,4-dien-1-amine
SMILESCC/C=C\C(=C/CC)\C(C)=C(\NC)C1=CC=CC1
InChIInChI=1S/C17H25N/c1-5-7-11-15(10-6-2)14(3)17(18-4)16-12-8-9-13-16/h7-12,18H,5-6,13H2,1-4H3/b11-7-,15-10+,17-14+
InChIKeyJDERHNYQZOCFAS-YILANPBWSA-N
MW243.39 g/mol
LogP4.67
Rot. Bonds6

About (1E,3E,4Z)-1-cyclopenta-1,3-dien-1-yl-N,2-dimethyl-3-propylidenehepta-1,4-dien-1-amine

(1E,3E,4Z)-1-cyclopenta-1,3-dien-1-yl-N,2-dimethyl-3-propylidenehepta-1,4-dien-1-amine (PubChem CID 138463349) has the molecular formula C17H25N and a molecular weight of 243.39 g/mol. Its IUPAC name is (1E,3E,4Z)-1-cyclopenta-1,3-dien-1-yl-N,2-dimethyl-3-propylidenehepta-1,4-dien-1-amine.

Molecular Properties

Compound Name(1E,3E,4Z)-1-cyclopenta-1,3-dien-1-yl-N,2-dimethyl-3-propylidenehepta-1,4-dien-1-amine
PubChem CID138463349
Molecular FormulaC17H25N
Molecular Weight243.39 g/mol
Exact Mass243.20
IUPAC Name(1E,3E,4Z)-1-cyclopenta-1,3-dien-1-yl-N,2-dimethyl-3-propylidenehepta-1,4-dien-1-amine
SMILESCC/C=C\C(=C/CC)\C(C)=C(\NC)C1=CC=CC1
InChIInChI=1S/C17H25N/c1-5-7-11-15(10-6-2)14(3)17(18-4)16-12-8-9-13-16/h7-12,18H,5-6,13H2,1-4H3/b11-7-,15-10+,17-14+
InChIKeyJDERHNYQZOCFAS-YILANPBWSA-N
XLogP4.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 54.67
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 (1E,3E,4Z)-1-cyclopenta-1,3-dien-1-yl-N,2-dimethyl-3-propylidenehepta-1,4-dien-1-amine?
The IUPAC name of (1E,3E,4Z)-1-cyclopenta-1,3-dien-1-yl-N,2-dimethyl-3-propylidenehepta-1,4-dien-1-amine (CID 138463349) is (1E,3E,4Z)-1-cyclopenta-1,3-dien-1-yl-N,2-dimethyl-3-propylidenehepta-1,4-dien-1-amine.
What is the SMILES notation for (1E,3E,4Z)-1-cyclopenta-1,3-dien-1-yl-N,2-dimethyl-3-propylidenehepta-1,4-dien-1-amine?
The canonical SMILES for (1E,3E,4Z)-1-cyclopenta-1,3-dien-1-yl-N,2-dimethyl-3-propylidenehepta-1,4-dien-1-amine is CC/C=C\C(=C/CC)\C(C)=C(\NC)C1=CC=CC1.
What is the InChIKey of (1E,3E,4Z)-1-cyclopenta-1,3-dien-1-yl-N,2-dimethyl-3-propylidenehepta-1,4-dien-1-amine?
The InChIKey is JDERHNYQZOCFAS-YILANPBWSA-N. The full InChI is InChI=1S/C17H25N/c1-5-7-11-15(10-6-2)14(3)17(18-4)16-12-8-9-13-16/h7-12,18H,5-6,13H2,1-4H3/b11-7-,15-10+,17-14+.
What are the key properties of (1E,3E,4Z)-1-cyclopenta-1,3-dien-1-yl-N,2-dimethyl-3-propylidenehepta-1,4-dien-1-amine?
(1E,3E,4Z)-1-cyclopenta-1,3-dien-1-yl-N,2-dimethyl-3-propylidenehepta-1,4-dien-1-amine has a molecular weight of 243.39 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3E,4Z)-1-cyclopenta-1,3-dien-1-yl-N,2-dimethyl-3-propylidenehepta-1,4-dien-1-amine is sourced from PubChem (CID 138463349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).