(Z)-2,3-bis(methylideneamino)prop-2-enal;N,N-dimethylmethanamine;ethane

C10H21N3O — CID 143336148

IUPAC(Z)-2,3-bis(methylideneamino)prop-2-enal;N,N-dimethylmethanamine;ethane
SMILESC=N/C=C(/C=O)N=C.CC.CN(C)C
InChIInChI=1S/C5H6N2O.C3H9N.C2H6/c1-6-3-5(4-8)7-2;1-4(2)3;1-2/h3-4H,1-2H2;1-3H3;1-2H3/b5-3-;;
InChIKeyAHROBUWSQWWZRJ-ORIPCLHRSA-N
MW199.30 g/mol
LogP1.63
Rot. Bonds3

About (Z)-2,3-bis(methylideneamino)prop-2-enal;N,N-dimethylmethanamine;ethane

(Z)-2,3-bis(methylideneamino)prop-2-enal;N,N-dimethylmethanamine;ethane (PubChem CID 143336148) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is (Z)-2,3-bis(methylideneamino)prop-2-enal;N,N-dimethylmethanamine;ethane.

Molecular Properties

Compound Name(Z)-2,3-bis(methylideneamino)prop-2-enal;N,N-dimethylmethanamine;ethane
PubChem CID143336148
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name(Z)-2,3-bis(methylideneamino)prop-2-enal;N,N-dimethylmethanamine;ethane
SMILESC=N/C=C(/C=O)N=C.CC.CN(C)C
InChIInChI=1S/C5H6N2O.C3H9N.C2H6/c1-6-3-5(4-8)7-2;1-4(2)3;1-2/h3-4H,1-2H2;1-3H3;1-2H3/b5-3-;;
InChIKeyAHROBUWSQWWZRJ-ORIPCLHRSA-N
XLogP1.63
TPSA45.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-Propenal, 2-(diethylamino)-3-(dimethylamino)-
CID 5367695
2-Propenal, 2,3-bis(dimethylamino)-
CID 5371442
(E)-3-(dimethylamino)-2-isocyanoprop-2-enal
CID 123642152
(Z)-2-[methyl(propyl)amino]-3-(propylideneamino)prop-2-enal
CID 143110856
(Z)-2-(ethylideneamino)-3-(methylideneamino)prop-2-enal
CID 164150880
Na(2)-[2-(Dimethylamino)-1-formylethenyl]-N,N-dimethylmethanimidamide
CID 165350750
2,3-Bis(dimethylamino)prop-2-enal
CID 580472
(Z)-2,3-bis(dimethylamino)prop-2-enal
CID 21160487
(Z)-2-(diethylamino)-3-(dimethylamino)prop-2-enal
CID 90472587
(Z)-2,3-bis(methylideneamino)prop-2-enal
CID 143336149
[(Z)-1-(5-formyl-2H-pyrazin-1-yl)prop-1-en-2-yl]-methylidyneazanium
CID 145506645

Frequently Asked Questions

What is the IUPAC name of (Z)-2,3-bis(methylideneamino)prop-2-enal;N,N-dimethylmethanamine;ethane?
The IUPAC name of (Z)-2,3-bis(methylideneamino)prop-2-enal;N,N-dimethylmethanamine;ethane (CID 143336148) is (Z)-2,3-bis(methylideneamino)prop-2-enal;N,N-dimethylmethanamine;ethane.
What is the SMILES notation for (Z)-2,3-bis(methylideneamino)prop-2-enal;N,N-dimethylmethanamine;ethane?
The canonical SMILES for (Z)-2,3-bis(methylideneamino)prop-2-enal;N,N-dimethylmethanamine;ethane is C=N/C=C(/C=O)N=C.CC.CN(C)C.
What is the InChIKey of (Z)-2,3-bis(methylideneamino)prop-2-enal;N,N-dimethylmethanamine;ethane?
The InChIKey is AHROBUWSQWWZRJ-ORIPCLHRSA-N. The full InChI is InChI=1S/C5H6N2O.C3H9N.C2H6/c1-6-3-5(4-8)7-2;1-4(2)3;1-2/h3-4H,1-2H2;1-3H3;1-2H3/b5-3-;;.
What are the key properties of (Z)-2,3-bis(methylideneamino)prop-2-enal;N,N-dimethylmethanamine;ethane?
(Z)-2,3-bis(methylideneamino)prop-2-enal;N,N-dimethylmethanamine;ethane has a molecular weight of 199.30 g/mol, XLogP of 1.63, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2,3-bis(methylideneamino)prop-2-enal;N,N-dimethylmethanamine;ethane is sourced from PubChem (CID 143336148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).