(Z)-N-[(Z)-1-[(Z)-but-3-en-2-ylideneamino]but-1-enyl]-5-(ethenyliminomethyl)oct-5-en-4-amine

C19H31N3 — CID 143056562

IUPAC(Z)-N-[(Z)-1-[(Z)-but-3-en-2-ylideneamino]but-1-enyl]-5-(ethenyliminomethyl)oct-5-en-4-amine
SMILESC=C/N=C/C(=C\CC)C(CCC)NC(=C/CC)/N=C(/C)C=C
InChIInChI=1S/C19H31N3/c1-7-12-17(15-20-11-5)18(13-8-2)22-19(14-9-3)21-16(6)10-4/h10-12,14-15,18,22H,4-5,7-9,13H2,1-3,6H3/b17-12+,19-14+,20-15+,21-16-
InChIKeyZQNOKCJRSWBWNB-NWKHDAGRSA-N
MW301.48 g/mol
LogP5.19
Rot. Bonds11

About (Z)-N-[(Z)-1-[(Z)-but-3-en-2-ylideneamino]but-1-enyl]-5-(ethenyliminomethyl)oct-5-en-4-amine

(Z)-N-[(Z)-1-[(Z)-but-3-en-2-ylideneamino]but-1-enyl]-5-(ethenyliminomethyl)oct-5-en-4-amine (PubChem CID 143056562) has the molecular formula C19H31N3 and a molecular weight of 301.48 g/mol. Its IUPAC name is (Z)-N-[(Z)-1-[(Z)-but-3-en-2-ylideneamino]but-1-enyl]-5-(ethenyliminomethyl)oct-5-en-4-amine.

Molecular Properties

Compound Name(Z)-N-[(Z)-1-[(Z)-but-3-en-2-ylideneamino]but-1-enyl]-5-(ethenyliminomethyl)oct-5-en-4-amine
PubChem CID143056562
Molecular FormulaC19H31N3
Molecular Weight301.48 g/mol
Exact Mass301.25
IUPAC Name(Z)-N-[(Z)-1-[(Z)-but-3-en-2-ylideneamino]but-1-enyl]-5-(ethenyliminomethyl)oct-5-en-4-amine
SMILESC=C/N=C/C(=C\CC)C(CCC)NC(=C/CC)/N=C(/C)C=C
InChIInChI=1S/C19H31N3/c1-7-12-17(15-20-11-5)18(13-8-2)22-19(14-9-3)21-16(6)10-4/h10-12,14-15,18,22H,4-5,7-9,13H2,1-3,6H3/b17-12+,19-14+,20-15+,21-16-
InChIKeyZQNOKCJRSWBWNB-NWKHDAGRSA-N
XLogP5.19
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.48
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-[(Z)-1-[(Z)-but-3-en-2-ylideneamino]but-1-enyl]-5-(ethenyliminomethyl)oct-5-en-4-amine?
The IUPAC name of (Z)-N-[(Z)-1-[(Z)-but-3-en-2-ylideneamino]but-1-enyl]-5-(ethenyliminomethyl)oct-5-en-4-amine (CID 143056562) is (Z)-N-[(Z)-1-[(Z)-but-3-en-2-ylideneamino]but-1-enyl]-5-(ethenyliminomethyl)oct-5-en-4-amine.
What is the SMILES notation for (Z)-N-[(Z)-1-[(Z)-but-3-en-2-ylideneamino]but-1-enyl]-5-(ethenyliminomethyl)oct-5-en-4-amine?
The canonical SMILES for (Z)-N-[(Z)-1-[(Z)-but-3-en-2-ylideneamino]but-1-enyl]-5-(ethenyliminomethyl)oct-5-en-4-amine is C=C/N=C/C(=C\CC)C(CCC)NC(=C/CC)/N=C(/C)C=C.
What is the InChIKey of (Z)-N-[(Z)-1-[(Z)-but-3-en-2-ylideneamino]but-1-enyl]-5-(ethenyliminomethyl)oct-5-en-4-amine?
The InChIKey is ZQNOKCJRSWBWNB-NWKHDAGRSA-N. The full InChI is InChI=1S/C19H31N3/c1-7-12-17(15-20-11-5)18(13-8-2)22-19(14-9-3)21-16(6)10-4/h10-12,14-15,18,22H,4-5,7-9,13H2,1-3,6H3/b17-12+,19-14+,20-15+,21-16-.
What are the key properties of (Z)-N-[(Z)-1-[(Z)-but-3-en-2-ylideneamino]but-1-enyl]-5-(ethenyliminomethyl)oct-5-en-4-amine?
(Z)-N-[(Z)-1-[(Z)-but-3-en-2-ylideneamino]but-1-enyl]-5-(ethenyliminomethyl)oct-5-en-4-amine has a molecular weight of 301.48 g/mol, XLogP of 5.19, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(Z)-1-[(Z)-but-3-en-2-ylideneamino]but-1-enyl]-5-(ethenyliminomethyl)oct-5-en-4-amine is sourced from PubChem (CID 143056562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).