(Z)-2-amino-4-(ethylideneamino)hex-4-enal

C8H14N2O — CID 164530588

IUPAC(Z)-2-amino-4-(ethylideneamino)hex-4-enal
SMILESC/C=C(CC(N)C=O)\N=C\C
InChIInChI=1S/C8H14N2O/c1-3-8(10-4-2)5-7(9)6-11/h3-4,6-7H,5,9H2,1-2H3/b8-3-,10-4+
InChIKeyNLLPHVGSPPKPMR-TTYYHJRKSA-N
MW154.21 g/mol
LogP0.90
Rot. Bonds4

About (Z)-2-amino-4-(ethylideneamino)hex-4-enal

(Z)-2-amino-4-(ethylideneamino)hex-4-enal (PubChem CID 164530588) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is (Z)-2-amino-4-(ethylideneamino)hex-4-enal.

Molecular Properties

Compound Name(Z)-2-amino-4-(ethylideneamino)hex-4-enal
PubChem CID164530588
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name(Z)-2-amino-4-(ethylideneamino)hex-4-enal
SMILESC/C=C(CC(N)C=O)\N=C\C
InChIInChI=1S/C8H14N2O/c1-3-8(10-4-2)5-7(9)6-11/h3-4,6-7H,5,9H2,1-2H3/b8-3-,10-4+
InChIKeyNLLPHVGSPPKPMR-TTYYHJRKSA-N
XLogP0.90
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3-amino-N-methyl-4-oxobutanamide
CID 57098200
sodium;(3S)-3-amino-4-oxobutanoic acid;hydride
CID 175446278
(3R)-3-amino-4-oxobutanamide;ethene;methane
CID 158060763
2,4,4-triaminopentanal
CID 168758878
(4Z)-2-amino-4-ethenylhepta-4,6-dienal;ethane
CID 142945417
N-hept-2-en-3-ylethanimine
CID 23597524
(2R)-2-amino-3-methylsulfanylpropanal
CID 56634175
(2S)-2-aminopent-4-enal
CID 160694428
1-(1-aminoethyl)-1-ethenyl-3-ethylideneurea
CID 141047446
2-[(5S)-5-amino-6-oxohexyl]guanidine
CID 22853450
(2S)-2-amino-3-methoxypropanal
CID 18395600
(2R)-2-amino-4,4-dimethylpentanal
CID 90948375

Frequently Asked Questions

What is the IUPAC name of (Z)-2-amino-4-(ethylideneamino)hex-4-enal?
The IUPAC name of (Z)-2-amino-4-(ethylideneamino)hex-4-enal (CID 164530588) is (Z)-2-amino-4-(ethylideneamino)hex-4-enal.
What is the SMILES notation for (Z)-2-amino-4-(ethylideneamino)hex-4-enal?
The canonical SMILES for (Z)-2-amino-4-(ethylideneamino)hex-4-enal is C/C=C(CC(N)C=O)\N=C\C.
What is the InChIKey of (Z)-2-amino-4-(ethylideneamino)hex-4-enal?
The InChIKey is NLLPHVGSPPKPMR-TTYYHJRKSA-N. The full InChI is InChI=1S/C8H14N2O/c1-3-8(10-4-2)5-7(9)6-11/h3-4,6-7H,5,9H2,1-2H3/b8-3-,10-4+.
What are the key properties of (Z)-2-amino-4-(ethylideneamino)hex-4-enal?
(Z)-2-amino-4-(ethylideneamino)hex-4-enal has a molecular weight of 154.21 g/mol, XLogP of 0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-amino-4-(ethylideneamino)hex-4-enal is sourced from PubChem (CID 164530588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).