1-N'-[(Z)-2-(ethylideneamino)ethenyl]-1-N-[(1Z,5E)-3-methylhepta-1,5-dienyl]ethene-1,1-diamine

C14H23N3 — CID 174318397

IUPAC1-N'-[(Z)-2-(ethylideneamino)ethenyl]-1-N-[(1Z,5E)-3-methylhepta-1,5-dienyl]ethene-1,1-diamine
SMILESC=C(N/C=C\N=C\C)N/C=C\C(C)C/C=C/C
InChIInChI=1S/C14H23N3/c1-5-7-8-13(3)9-10-16-14(4)17-12-11-15-6-2/h5-7,9-13,16-17H,4,8H2,1-3H3/b7-5+,10-9-,12-11-,15-6+
InChIKeyKGOIIIHFXBNHMM-RZZWUBGUSA-N
MW233.36 g/mol
LogP3.31
Rot. Bonds8

About 1-N'-[(Z)-2-(ethylideneamino)ethenyl]-1-N-[(1Z,5E)-3-methylhepta-1,5-dienyl]ethene-1,1-diamine

1-N'-[(Z)-2-(ethylideneamino)ethenyl]-1-N-[(1Z,5E)-3-methylhepta-1,5-dienyl]ethene-1,1-diamine (PubChem CID 174318397) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 1-N'-[(Z)-2-(ethylideneamino)ethenyl]-1-N-[(1Z,5E)-3-methylhepta-1,5-dienyl]ethene-1,1-diamine.

Molecular Properties

Compound Name1-N'-[(Z)-2-(ethylideneamino)ethenyl]-1-N-[(1Z,5E)-3-methylhepta-1,5-dienyl]ethene-1,1-diamine
PubChem CID174318397
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name1-N'-[(Z)-2-(ethylideneamino)ethenyl]-1-N-[(1Z,5E)-3-methylhepta-1,5-dienyl]ethene-1,1-diamine
SMILESC=C(N/C=C\N=C\C)N/C=C\C(C)C/C=C/C
InChIInChI=1S/C14H23N3/c1-5-7-8-13(3)9-10-16-14(4)17-12-11-15-6-2/h5-7,9-13,16-17H,4,8H2,1-3H3/b7-5+,10-9-,12-11-,15-6+
InChIKeyKGOIIIHFXBNHMM-RZZWUBGUSA-N
XLogP3.31
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-N'-[(Z)-2-(ethylideneamino)ethenyl]-1-N-[(1Z,5E)-3-methylhepta-1,5-dienyl]ethene-1,1-diamine?
The IUPAC name of 1-N'-[(Z)-2-(ethylideneamino)ethenyl]-1-N-[(1Z,5E)-3-methylhepta-1,5-dienyl]ethene-1,1-diamine (CID 174318397) is 1-N'-[(Z)-2-(ethylideneamino)ethenyl]-1-N-[(1Z,5E)-3-methylhepta-1,5-dienyl]ethene-1,1-diamine.
What is the SMILES notation for 1-N'-[(Z)-2-(ethylideneamino)ethenyl]-1-N-[(1Z,5E)-3-methylhepta-1,5-dienyl]ethene-1,1-diamine?
The canonical SMILES for 1-N'-[(Z)-2-(ethylideneamino)ethenyl]-1-N-[(1Z,5E)-3-methylhepta-1,5-dienyl]ethene-1,1-diamine is C=C(N/C=C\N=C\C)N/C=C\C(C)C/C=C/C.
What is the InChIKey of 1-N'-[(Z)-2-(ethylideneamino)ethenyl]-1-N-[(1Z,5E)-3-methylhepta-1,5-dienyl]ethene-1,1-diamine?
The InChIKey is KGOIIIHFXBNHMM-RZZWUBGUSA-N. The full InChI is InChI=1S/C14H23N3/c1-5-7-8-13(3)9-10-16-14(4)17-12-11-15-6-2/h5-7,9-13,16-17H,4,8H2,1-3H3/b7-5+,10-9-,12-11-,15-6+.
What are the key properties of 1-N'-[(Z)-2-(ethylideneamino)ethenyl]-1-N-[(1Z,5E)-3-methylhepta-1,5-dienyl]ethene-1,1-diamine?
1-N'-[(Z)-2-(ethylideneamino)ethenyl]-1-N-[(1Z,5E)-3-methylhepta-1,5-dienyl]ethene-1,1-diamine has a molecular weight of 233.36 g/mol, XLogP of 3.31, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-[(Z)-2-(ethylideneamino)ethenyl]-1-N-[(1Z,5E)-3-methylhepta-1,5-dienyl]ethene-1,1-diamine is sourced from PubChem (CID 174318397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).