ethane;methanamine;(3Z)-3-[(methylideneamino)methylidene]pent-4-enal

C10H20N2O — CID 143775554

IUPACethane;methanamine;(3Z)-3-[(methylideneamino)methylidene]pent-4-enal
SMILESC=C/C(=C\N=C)CC=O.CC.CN
InChIInChI=1S/C7H9NO.C2H6.CH5N/c1-3-7(4-5-9)6-8-2;2*1-2/h3,5-6H,1-2,4H2;1-2H3;2H2,1H3/b7-6+;;
InChIKeyIGAHUPJUSGBCNF-KMXZHCNGSA-N
MW184.28 g/mol
LogP1.95
Rot. Bonds4

About ethane;methanamine;(3Z)-3-[(methylideneamino)methylidene]pent-4-enal

ethane;methanamine;(3Z)-3-[(methylideneamino)methylidene]pent-4-enal (PubChem CID 143775554) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is ethane;methanamine;(3Z)-3-[(methylideneamino)methylidene]pent-4-enal.

Molecular Properties

Compound Nameethane;methanamine;(3Z)-3-[(methylideneamino)methylidene]pent-4-enal
PubChem CID143775554
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Nameethane;methanamine;(3Z)-3-[(methylideneamino)methylidene]pent-4-enal
SMILESC=C/C(=C\N=C)CC=O.CC.CN
InChIInChI=1S/C7H9NO.C2H6.CH5N/c1-3-7(4-5-9)6-8-2;2*1-2/h3,5-6H,1-2,4H2;1-2H3;2H2,1H3/b7-6+;;
InChIKeyIGAHUPJUSGBCNF-KMXZHCNGSA-N
XLogP1.95
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.95
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

ethane;(2E)-N-methyl-2-[(methylideneamino)methylidene]but-3-en-1-amine
CID 142154773
(3Z)-3-ethenylhexa-3,5-dienal;N-methylmethanamine
CID 143006742
(3Z,5E)-3-ethenyl-5-methoxyhepta-3,5-dienal
CID 144711448
ethane;N-[(1E)-2-[[ethoxy(methyl)phosphanyl]oxymethyl]buta-1,3-dienyl]methanimine
CID 145111805
ethane;3-[(Z)-prop-1-enyl]iminopent-4-enal
CID 170724337
3,5-dimethyl-N-[(2E)-2-[(methylideneamino)methylidene]but-3-enyl]benzamide
CID 145418953
N-[(1Z)-2-ethylbuta-1,3-dienyl]methanimine;4-methylpyridine
CID 143838581
(1E)-2-methyl-1-(methylideneamino)penta-1,4-dien-3-one
CID 118428989
(E,2E)-3-amino-2-[(methylideneamino)methylidene]pent-3-enal;methoxymethane
CID 153392281
N-[(1E)-1-(methylideneamino)buta-1,3-dien-2-yl]formamide
CID 143633912
3-[(Z)-but-1-enyl]iminopent-4-enal
CID 126695355
(1E)-1-(methylideneamino)buta-1,3-dien-2-ol
CID 143277804

Frequently Asked Questions

What is the IUPAC name of ethane;methanamine;(3Z)-3-[(methylideneamino)methylidene]pent-4-enal?
The IUPAC name of ethane;methanamine;(3Z)-3-[(methylideneamino)methylidene]pent-4-enal (CID 143775554) is ethane;methanamine;(3Z)-3-[(methylideneamino)methylidene]pent-4-enal.
What is the SMILES notation for ethane;methanamine;(3Z)-3-[(methylideneamino)methylidene]pent-4-enal?
The canonical SMILES for ethane;methanamine;(3Z)-3-[(methylideneamino)methylidene]pent-4-enal is C=C/C(=C\N=C)CC=O.CC.CN.
What is the InChIKey of ethane;methanamine;(3Z)-3-[(methylideneamino)methylidene]pent-4-enal?
The InChIKey is IGAHUPJUSGBCNF-KMXZHCNGSA-N. The full InChI is InChI=1S/C7H9NO.C2H6.CH5N/c1-3-7(4-5-9)6-8-2;2*1-2/h3,5-6H,1-2,4H2;1-2H3;2H2,1H3/b7-6+;;.
What are the key properties of ethane;methanamine;(3Z)-3-[(methylideneamino)methylidene]pent-4-enal?
ethane;methanamine;(3Z)-3-[(methylideneamino)methylidene]pent-4-enal has a molecular weight of 184.28 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methanamine;(3Z)-3-[(methylideneamino)methylidene]pent-4-enal is sourced from PubChem (CID 143775554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).