methane;2-methyl-N'-[(Z)-prop-1-enyl]prop-2-enimidamide

C8H16N2 — CID 143600489

IUPACmethane;2-methyl-N'-[(Z)-prop-1-enyl]prop-2-enimidamide
SMILESC.C=C(C)/C(N)=N/C=C\C
InChIInChI=1S/C7H12N2.CH4/c1-4-5-9-7(8)6(2)3;/h4-5H,2H2,1,3H3,(H2,8,9);1H4/b5-4-;
InChIKeyCRYFFAGRKOMDAB-MKWAYWHRSA-N
MW140.23 g/mol
LogP2.09
Rot. Bonds2

About methane;2-methyl-N'-[(Z)-prop-1-enyl]prop-2-enimidamide

methane;2-methyl-N'-[(Z)-prop-1-enyl]prop-2-enimidamide (PubChem CID 143600489) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is methane;2-methyl-N'-[(Z)-prop-1-enyl]prop-2-enimidamide.

Molecular Properties

Compound Namemethane;2-methyl-N'-[(Z)-prop-1-enyl]prop-2-enimidamide
PubChem CID143600489
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Namemethane;2-methyl-N'-[(Z)-prop-1-enyl]prop-2-enimidamide
SMILESC.C=C(C)/C(N)=N/C=C\C
InChIInChI=1S/C7H12N2.CH4/c1-4-5-9-7(8)6(2)3;/h4-5H,2H2,1,3H3,(H2,8,9);1H4/b5-4-;
InChIKeyCRYFFAGRKOMDAB-MKWAYWHRSA-N
XLogP2.09
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methane;2-methyl-N'-[(Z)-prop-1-enyl]prop-2-enimidamide?
The IUPAC name of methane;2-methyl-N'-[(Z)-prop-1-enyl]prop-2-enimidamide (CID 143600489) is methane;2-methyl-N'-[(Z)-prop-1-enyl]prop-2-enimidamide.
What is the SMILES notation for methane;2-methyl-N'-[(Z)-prop-1-enyl]prop-2-enimidamide?
The canonical SMILES for methane;2-methyl-N'-[(Z)-prop-1-enyl]prop-2-enimidamide is C.C=C(C)/C(N)=N/C=C\C.
What is the InChIKey of methane;2-methyl-N'-[(Z)-prop-1-enyl]prop-2-enimidamide?
The InChIKey is CRYFFAGRKOMDAB-MKWAYWHRSA-N. The full InChI is InChI=1S/C7H12N2.CH4/c1-4-5-9-7(8)6(2)3;/h4-5H,2H2,1,3H3,(H2,8,9);1H4/b5-4-;.
What are the key properties of methane;2-methyl-N'-[(Z)-prop-1-enyl]prop-2-enimidamide?
methane;2-methyl-N'-[(Z)-prop-1-enyl]prop-2-enimidamide has a molecular weight of 140.23 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2-methyl-N'-[(Z)-prop-1-enyl]prop-2-enimidamide is sourced from PubChem (CID 143600489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).