(2E,4Z)-N-[2-(prop-2-enylideneamino)prop-2-enyl]hepta-2,4,6-trien-3-amine

C13H18N2 — CID 126695578

IUPAC(2E,4Z)-N-[2-(prop-2-enylideneamino)prop-2-enyl]hepta-2,4,6-trien-3-amine
SMILESC=C/C=C\C(=C/C)NCC(=C)/N=C/C=C
InChIInChI=1S/C13H18N2/c1-5-8-9-13(7-3)15-11-12(4)14-10-6-2/h5-10,15H,1-2,4,11H2,3H3/b9-8-,13-7+,14-10+
InChIKeyLWODUVPTRLKTBU-FDELCXDJSA-N
MW202.30 g/mol
LogP2.99
Rot. Bonds7

About (2E,4Z)-N-[2-(prop-2-enylideneamino)prop-2-enyl]hepta-2,4,6-trien-3-amine

(2E,4Z)-N-[2-(prop-2-enylideneamino)prop-2-enyl]hepta-2,4,6-trien-3-amine (PubChem CID 126695578) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is (2E,4Z)-N-[2-(prop-2-enylideneamino)prop-2-enyl]hepta-2,4,6-trien-3-amine.

Molecular Properties

Compound Name(2E,4Z)-N-[2-(prop-2-enylideneamino)prop-2-enyl]hepta-2,4,6-trien-3-amine
PubChem CID126695578
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name(2E,4Z)-N-[2-(prop-2-enylideneamino)prop-2-enyl]hepta-2,4,6-trien-3-amine
SMILESC=C/C=C\C(=C/C)NCC(=C)/N=C/C=C
InChIInChI=1S/C13H18N2/c1-5-8-9-13(7-3)15-11-12(4)14-10-6-2/h5-10,15H,1-2,4,11H2,3H3/b9-8-,13-7+,14-10+
InChIKeyLWODUVPTRLKTBU-FDELCXDJSA-N
XLogP2.99
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-N-[2-(prop-2-enylideneamino)prop-2-enyl]hepta-2,4,6-trien-3-amine?
The IUPAC name of (2E,4Z)-N-[2-(prop-2-enylideneamino)prop-2-enyl]hepta-2,4,6-trien-3-amine (CID 126695578) is (2E,4Z)-N-[2-(prop-2-enylideneamino)prop-2-enyl]hepta-2,4,6-trien-3-amine.
What is the SMILES notation for (2E,4Z)-N-[2-(prop-2-enylideneamino)prop-2-enyl]hepta-2,4,6-trien-3-amine?
The canonical SMILES for (2E,4Z)-N-[2-(prop-2-enylideneamino)prop-2-enyl]hepta-2,4,6-trien-3-amine is C=C/C=C\C(=C/C)NCC(=C)/N=C/C=C.
What is the InChIKey of (2E,4Z)-N-[2-(prop-2-enylideneamino)prop-2-enyl]hepta-2,4,6-trien-3-amine?
The InChIKey is LWODUVPTRLKTBU-FDELCXDJSA-N. The full InChI is InChI=1S/C13H18N2/c1-5-8-9-13(7-3)15-11-12(4)14-10-6-2/h5-10,15H,1-2,4,11H2,3H3/b9-8-,13-7+,14-10+.
What are the key properties of (2E,4Z)-N-[2-(prop-2-enylideneamino)prop-2-enyl]hepta-2,4,6-trien-3-amine?
(2E,4Z)-N-[2-(prop-2-enylideneamino)prop-2-enyl]hepta-2,4,6-trien-3-amine has a molecular weight of 202.30 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-N-[2-(prop-2-enylideneamino)prop-2-enyl]hepta-2,4,6-trien-3-amine is sourced from PubChem (CID 126695578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).