methanamine;(Z)-3-(methylamino)but-2-enal

C6H14N2O — CID 144906265

IUPACmethanamine;(Z)-3-(methylamino)but-2-enal
SMILESCN.CN/C(C)=C\C=O
InChIInChI=1S/C5H9NO.CH5N/c1-5(6-2)3-4-7;1-2/h3-4,6H,1-2H3;2H2,1H3/b5-3-;
InChIKeyNSRSVRVQVZEYHI-FBZPGIPVSA-N
MW130.19 g/mol
LogP-0.12
Rot. Bonds2

About methanamine;(Z)-3-(methylamino)but-2-enal

methanamine;(Z)-3-(methylamino)but-2-enal (PubChem CID 144906265) has the molecular formula C6H14N2O and a molecular weight of 130.19 g/mol. Its IUPAC name is methanamine;(Z)-3-(methylamino)but-2-enal.

Molecular Properties

Compound Namemethanamine;(Z)-3-(methylamino)but-2-enal
PubChem CID144906265
Molecular FormulaC6H14N2O
Molecular Weight130.19 g/mol
Exact Mass130.11
IUPAC Namemethanamine;(Z)-3-(methylamino)but-2-enal
SMILESCN.CN/C(C)=C\C=O
InChIInChI=1S/C5H9NO.CH5N/c1-5(6-2)3-4-7;1-2/h3-4,6H,1-2H3;2H2,1H3/b5-3-;
InChIKeyNSRSVRVQVZEYHI-FBZPGIPVSA-N
XLogP-0.12
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

5-Methyl-4-azahept-5-en-7-one
CID 134693631
(Z)-3-(prop-1-en-2-ylamino)but-2-enal
CID 134922197
(E)-3-(ethylamino)but-2-enal
CID 58915947
(Z)-2-amino-3-(methylamino)but-2-enal
CID 87171455
(Z)-2-amino-3-(ethenylamino)but-2-enal
CID 88933548
(Z)-3-[[(Z)-prop-1-enyl]amino]but-2-enal
CID 89043945
(Z)-2-amino-3-(prop-1-en-2-ylamino)prop-2-enal
CID 89228251
(Z)-3-amino-2-(ethenylamino)but-2-enal
CID 89360445
(2Z,4Z)-5-(methylamino)hexa-2,4-dienal
CID 134517048
(2Z)-2-amino-3-(methylamino)penta-2,4-dienal
CID 135266619
(2E,4Z)-3-(ethenylamino)-5-(methylamino)penta-2,4-dienal
CID 138629171
(Z)-2-amino-3-(methylamino)prop-2-enal
CID 143200944

Frequently Asked Questions

What is the IUPAC name of methanamine;(Z)-3-(methylamino)but-2-enal?
The IUPAC name of methanamine;(Z)-3-(methylamino)but-2-enal (CID 144906265) is methanamine;(Z)-3-(methylamino)but-2-enal.
What is the SMILES notation for methanamine;(Z)-3-(methylamino)but-2-enal?
The canonical SMILES for methanamine;(Z)-3-(methylamino)but-2-enal is CN.CN/C(C)=C\C=O.
What is the InChIKey of methanamine;(Z)-3-(methylamino)but-2-enal?
The InChIKey is NSRSVRVQVZEYHI-FBZPGIPVSA-N. The full InChI is InChI=1S/C5H9NO.CH5N/c1-5(6-2)3-4-7;1-2/h3-4,6H,1-2H3;2H2,1H3/b5-3-;.
What are the key properties of methanamine;(Z)-3-(methylamino)but-2-enal?
methanamine;(Z)-3-(methylamino)but-2-enal has a molecular weight of 130.19 g/mol, XLogP of -0.12, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methanamine;(Z)-3-(methylamino)but-2-enal is sourced from PubChem (CID 144906265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).