ethane;(Z)-N-methyl-3-(methylideneamino)but-2-en-2-amine

C8H18N2 — CID 143722867

IUPACethane;(Z)-N-methyl-3-(methylideneamino)but-2-en-2-amine
SMILESC=N/C(C)=C(/C)NC.CC
InChIInChI=1S/C6H12N2.C2H6/c1-5(7-3)6(2)8-4;1-2/h8H,3H2,1-2,4H3;1-2H3/b6-5-;
InChIKeyLIXNKZAFOKXLJL-YSMBQZINSA-N
MW142.25 g/mol
LogP2.18
Rot. Bonds2

About ethane;(Z)-N-methyl-3-(methylideneamino)but-2-en-2-amine

ethane;(Z)-N-methyl-3-(methylideneamino)but-2-en-2-amine (PubChem CID 143722867) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is ethane;(Z)-N-methyl-3-(methylideneamino)but-2-en-2-amine.

Molecular Properties

Compound Nameethane;(Z)-N-methyl-3-(methylideneamino)but-2-en-2-amine
PubChem CID143722867
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC Nameethane;(Z)-N-methyl-3-(methylideneamino)but-2-en-2-amine
SMILESC=N/C(C)=C(/C)NC.CC
InChIInChI=1S/C6H12N2.C2H6/c1-5(7-3)6(2)8-4;1-2/h8H,3H2,1-2,4H3;1-2H3/b6-5-;
InChIKeyLIXNKZAFOKXLJL-YSMBQZINSA-N
XLogP2.18
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-2-ethenyl-N-methyl-3-(methylideneamino)but-2-en-1-amine
CID 142162721
ethane;(3E)-4-(methylideneamino)penta-1,3-dien-3-ol
CID 143976518
(1Z)-N,3-dimethyl-1-(methylideneamino)buta-1,3-dien-1-amine
CID 143723048
ethane;N-methylmethanimine;N-prop-1-en-2-ylmethanimine
CID 143372757
(Z)-3-N-methylbut-2-ene-2,3-diamine
CID 58557481
(Z)-N-methyl-1-(methylideneamino)prop-1-en-2-amine
CID 142103381
N-(4-bromo-3-methylsulfanylbut-2-en-2-yl)methanimine
CID 91325584
N-[(E)-but-2-en-2-yl]methanimine;ethane
CID 145473397
N,3-dimethylbut-2-en-2-amine;N,N-dimethylmethanamine
CID 171517799
N,N'-dimethylethanimidamide;ethane
CID 176553571
ethane;(E)-4-ethylimino-N,3-dimethylbut-2-en-2-amine
CID 144831826
N-[(Z)-3-[amino(methyl)amino]but-2-en-2-yl]methanimine
CID 146964297

Frequently Asked Questions

What is the IUPAC name of ethane;(Z)-N-methyl-3-(methylideneamino)but-2-en-2-amine?
The IUPAC name of ethane;(Z)-N-methyl-3-(methylideneamino)but-2-en-2-amine (CID 143722867) is ethane;(Z)-N-methyl-3-(methylideneamino)but-2-en-2-amine.
What is the SMILES notation for ethane;(Z)-N-methyl-3-(methylideneamino)but-2-en-2-amine?
The canonical SMILES for ethane;(Z)-N-methyl-3-(methylideneamino)but-2-en-2-amine is C=N/C(C)=C(/C)NC.CC.
What is the InChIKey of ethane;(Z)-N-methyl-3-(methylideneamino)but-2-en-2-amine?
The InChIKey is LIXNKZAFOKXLJL-YSMBQZINSA-N. The full InChI is InChI=1S/C6H12N2.C2H6/c1-5(7-3)6(2)8-4;1-2/h8H,3H2,1-2,4H3;1-2H3/b6-5-;.
What are the key properties of ethane;(Z)-N-methyl-3-(methylideneamino)but-2-en-2-amine?
ethane;(Z)-N-methyl-3-(methylideneamino)but-2-en-2-amine has a molecular weight of 142.25 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z)-N-methyl-3-(methylideneamino)but-2-en-2-amine is sourced from PubChem (CID 143722867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).