(2Z)-2-(1-aminoethylidene)-N-propylhepta-3,4,6-trienamide

C12H18N2O — CID 176540372

IUPAC(2Z)-2-(1-aminoethylidene)-N-propylhepta-3,4,6-trienamide
SMILESC=CC=C=C/C(C(=O)NCCC)=C(\C)N
InChIInChI=1S/C12H18N2O/c1-4-6-7-8-11(10(3)13)12(15)14-9-5-2/h4,6,8H,1,5,9,13H2,2-3H3,(H,14,15)/b11-10-
InChIKeyOSPKIVATVVDGTI-KHPPLWFESA-N
MW206.29 g/mol
LogP1.64
Rot. Bonds5

About (2Z)-2-(1-aminoethylidene)-N-propylhepta-3,4,6-trienamide

(2Z)-2-(1-aminoethylidene)-N-propylhepta-3,4,6-trienamide (PubChem CID 176540372) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is (2Z)-2-(1-aminoethylidene)-N-propylhepta-3,4,6-trienamide.

Molecular Properties

Compound Name(2Z)-2-(1-aminoethylidene)-N-propylhepta-3,4,6-trienamide
PubChem CID176540372
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name(2Z)-2-(1-aminoethylidene)-N-propylhepta-3,4,6-trienamide
SMILESC=CC=C=C/C(C(=O)NCCC)=C(\C)N
InChIInChI=1S/C12H18N2O/c1-4-6-7-8-11(10(3)13)12(15)14-9-5-2/h4,6,8H,1,5,9,13H2,2-3H3,(H,14,15)/b11-10-
InChIKeyOSPKIVATVVDGTI-KHPPLWFESA-N
XLogP1.64
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(1-aminoethylidene)-N-propylhepta-3,4,6-trienamide?
The IUPAC name of (2Z)-2-(1-aminoethylidene)-N-propylhepta-3,4,6-trienamide (CID 176540372) is (2Z)-2-(1-aminoethylidene)-N-propylhepta-3,4,6-trienamide.
What is the SMILES notation for (2Z)-2-(1-aminoethylidene)-N-propylhepta-3,4,6-trienamide?
The canonical SMILES for (2Z)-2-(1-aminoethylidene)-N-propylhepta-3,4,6-trienamide is C=CC=C=C/C(C(=O)NCCC)=C(\C)N.
What is the InChIKey of (2Z)-2-(1-aminoethylidene)-N-propylhepta-3,4,6-trienamide?
The InChIKey is OSPKIVATVVDGTI-KHPPLWFESA-N. The full InChI is InChI=1S/C12H18N2O/c1-4-6-7-8-11(10(3)13)12(15)14-9-5-2/h4,6,8H,1,5,9,13H2,2-3H3,(H,14,15)/b11-10-.
What are the key properties of (2Z)-2-(1-aminoethylidene)-N-propylhepta-3,4,6-trienamide?
(2Z)-2-(1-aminoethylidene)-N-propylhepta-3,4,6-trienamide has a molecular weight of 206.29 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(1-aminoethylidene)-N-propylhepta-3,4,6-trienamide is sourced from PubChem (CID 176540372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).