(E)-2-[(Z)-prop-1-enyl]-N-[(E)-1-(prop-2-enylideneamino)prop-1-en-2-yl]pent-2-en-1-amine

C14H22N2 — CID 154979204

IUPAC(E)-2-[(Z)-prop-1-enyl]-N-[(E)-1-(prop-2-enylideneamino)prop-1-en-2-yl]pent-2-en-1-amine
SMILESC=C/C=N/C=C(\C)NCC(/C=C\C)=C/CC
InChIInChI=1S/C14H22N2/c1-5-8-14(9-6-2)12-16-13(4)11-15-10-7-3/h5,7-11,16H,3,6,12H2,1-2,4H3/b8-5-,13-11+,14-9+,15-10+
InChIKeyZMMJGDQRMSRLJF-VYKYUUAHSA-N
MW218.34 g/mol
LogP3.61
Rot. Bonds7

About (E)-2-[(Z)-prop-1-enyl]-N-[(E)-1-(prop-2-enylideneamino)prop-1-en-2-yl]pent-2-en-1-amine

(E)-2-[(Z)-prop-1-enyl]-N-[(E)-1-(prop-2-enylideneamino)prop-1-en-2-yl]pent-2-en-1-amine (PubChem CID 154979204) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is (E)-2-[(Z)-prop-1-enyl]-N-[(E)-1-(prop-2-enylideneamino)prop-1-en-2-yl]pent-2-en-1-amine.

Molecular Properties

Compound Name(E)-2-[(Z)-prop-1-enyl]-N-[(E)-1-(prop-2-enylideneamino)prop-1-en-2-yl]pent-2-en-1-amine
PubChem CID154979204
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name(E)-2-[(Z)-prop-1-enyl]-N-[(E)-1-(prop-2-enylideneamino)prop-1-en-2-yl]pent-2-en-1-amine
SMILESC=C/C=N/C=C(\C)NCC(/C=C\C)=C/CC
InChIInChI=1S/C14H22N2/c1-5-8-14(9-6-2)12-16-13(4)11-15-10-7-3/h5,7-11,16H,3,6,12H2,1-2,4H3/b8-5-,13-11+,14-9+,15-10+
InChIKeyZMMJGDQRMSRLJF-VYKYUUAHSA-N
XLogP3.61
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.61
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 (E)-2-[(Z)-prop-1-enyl]-N-[(E)-1-(prop-2-enylideneamino)prop-1-en-2-yl]pent-2-en-1-amine?
The IUPAC name of (E)-2-[(Z)-prop-1-enyl]-N-[(E)-1-(prop-2-enylideneamino)prop-1-en-2-yl]pent-2-en-1-amine (CID 154979204) is (E)-2-[(Z)-prop-1-enyl]-N-[(E)-1-(prop-2-enylideneamino)prop-1-en-2-yl]pent-2-en-1-amine.
What is the SMILES notation for (E)-2-[(Z)-prop-1-enyl]-N-[(E)-1-(prop-2-enylideneamino)prop-1-en-2-yl]pent-2-en-1-amine?
The canonical SMILES for (E)-2-[(Z)-prop-1-enyl]-N-[(E)-1-(prop-2-enylideneamino)prop-1-en-2-yl]pent-2-en-1-amine is C=C/C=N/C=C(\C)NCC(/C=C\C)=C/CC.
What is the InChIKey of (E)-2-[(Z)-prop-1-enyl]-N-[(E)-1-(prop-2-enylideneamino)prop-1-en-2-yl]pent-2-en-1-amine?
The InChIKey is ZMMJGDQRMSRLJF-VYKYUUAHSA-N. The full InChI is InChI=1S/C14H22N2/c1-5-8-14(9-6-2)12-16-13(4)11-15-10-7-3/h5,7-11,16H,3,6,12H2,1-2,4H3/b8-5-,13-11+,14-9+,15-10+.
What are the key properties of (E)-2-[(Z)-prop-1-enyl]-N-[(E)-1-(prop-2-enylideneamino)prop-1-en-2-yl]pent-2-en-1-amine?
(E)-2-[(Z)-prop-1-enyl]-N-[(E)-1-(prop-2-enylideneamino)prop-1-en-2-yl]pent-2-en-1-amine has a molecular weight of 218.34 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-[(Z)-prop-1-enyl]-N-[(E)-1-(prop-2-enylideneamino)prop-1-en-2-yl]pent-2-en-1-amine is sourced from PubChem (CID 154979204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).