ethane;(Z)-2-methyliminopent-3-en-1-amine

C8H18N2 — CID 144600133

IUPACethane;(Z)-2-methyliminopent-3-en-1-amine
SMILESC/C=C\C(CN)=N\C.CC
InChIInChI=1S/C6H12N2.C2H6/c1-3-4-6(5-7)8-2;1-2/h3-4H,5,7H2,1-2H3;1-2H3/b4-3-,8-6-;
InChIKeyDDJSUXXGAHLGCT-PUPCHWGBSA-N
MW142.25 g/mol
LogP1.62
Rot. Bonds2

About ethane;(Z)-2-methyliminopent-3-en-1-amine

ethane;(Z)-2-methyliminopent-3-en-1-amine (PubChem CID 144600133) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is ethane;(Z)-2-methyliminopent-3-en-1-amine.

Molecular Properties

Compound Nameethane;(Z)-2-methyliminopent-3-en-1-amine
PubChem CID144600133
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC Nameethane;(Z)-2-methyliminopent-3-en-1-amine
SMILESC/C=C\C(CN)=N\C.CC
InChIInChI=1S/C6H12N2.C2H6/c1-3-4-6(5-7)8-2;1-2/h3-4H,5,7H2,1-2H3;1-2H3/b4-3-,8-6-;
InChIKeyDDJSUXXGAHLGCT-PUPCHWGBSA-N
XLogP1.62
TPSA38.38 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 ≤ 51.62
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

(Z)-N-methyl-2-methyliminopent-3-en-1-amine
CID 143155280
N-methyldodec-2-en-4-imine
CID 123853785
(Z)-1-aminopent-3-en-2-one;ethane
CID 143495153
(Z)-1-aminopent-3-en-2-one
CID 143495154
3-[(Z)-2-methyliminopent-3-enyl]pyridin-2-amine
CID 143596497
1-aminopent-3-en-2-one;tetrahydrofluoride
CID 173491029
(Z)-2-methyliminopent-3-enamide
CID 126689701
2-oxoethyl (Z)-N-methylbut-2-enimidate
CID 145058531
ethane;(E)-2-methylbut-2-en-1-amine
CID 143126419
2-chlorobut-2-en-1-amine
CID 123970893
(2Z,4E)-6-methyliminohepta-2,4-dien-4-amine
CID 138740142
1-N,2-N-dimethylpent-3-ene-1,2-diimine
CID 123282638

Frequently Asked Questions

What is the IUPAC name of ethane;(Z)-2-methyliminopent-3-en-1-amine?
The IUPAC name of ethane;(Z)-2-methyliminopent-3-en-1-amine (CID 144600133) is ethane;(Z)-2-methyliminopent-3-en-1-amine.
What is the SMILES notation for ethane;(Z)-2-methyliminopent-3-en-1-amine?
The canonical SMILES for ethane;(Z)-2-methyliminopent-3-en-1-amine is C/C=C\C(CN)=N\C.CC.
What is the InChIKey of ethane;(Z)-2-methyliminopent-3-en-1-amine?
The InChIKey is DDJSUXXGAHLGCT-PUPCHWGBSA-N. The full InChI is InChI=1S/C6H12N2.C2H6/c1-3-4-6(5-7)8-2;1-2/h3-4H,5,7H2,1-2H3;1-2H3/b4-3-,8-6-;.
What are the key properties of ethane;(Z)-2-methyliminopent-3-en-1-amine?
ethane;(Z)-2-methyliminopent-3-en-1-amine has a molecular weight of 142.25 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z)-2-methyliminopent-3-en-1-amine is sourced from PubChem (CID 144600133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).