ethane;2-methyl-N'-[(Z)-prop-1-enyl]propanimidamide

C11H26N2 — CID 153389365

IUPACethane;2-methyl-N'-[(Z)-prop-1-enyl]propanimidamide
SMILESC/C=C\N=C(/N)C(C)C.CC.CC
InChIInChI=1S/C7H14N2.2C2H6/c1-4-5-9-7(8)6(2)3;2*1-2/h4-6H,1-3H3,(H2,8,9);2*1-2H3/b5-4-;;
InChIKeyFGKLFCIYOPIXKG-WNCVTPEDSA-N
MW186.34 g/mol
LogP3.59
Rot. Bonds2

About ethane;2-methyl-N'-[(Z)-prop-1-enyl]propanimidamide

ethane;2-methyl-N'-[(Z)-prop-1-enyl]propanimidamide (PubChem CID 153389365) has the molecular formula C11H26N2 and a molecular weight of 186.34 g/mol. Its IUPAC name is ethane;2-methyl-N'-[(Z)-prop-1-enyl]propanimidamide.

Molecular Properties

Compound Nameethane;2-methyl-N'-[(Z)-prop-1-enyl]propanimidamide
PubChem CID153389365
Molecular FormulaC11H26N2
Molecular Weight186.34 g/mol
Exact Mass186.21
IUPAC Nameethane;2-methyl-N'-[(Z)-prop-1-enyl]propanimidamide
SMILESC/C=C\N=C(/N)C(C)C.CC.CC
InChIInChI=1S/C7H14N2.2C2H6/c1-4-5-9-7(8)6(2)3;2*1-2/h4-6H,1-3H3,(H2,8,9);2*1-2H3/b5-4-;;
InChIKeyFGKLFCIYOPIXKG-WNCVTPEDSA-N
XLogP3.59
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.34
LogP ≤ 53.59
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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Related Compounds

2-methyl-N'-prop-2-enylpropanimidamide
CID 19043648
2-methyl-N'-prop-2-enylbutanimidamide
CID 87877522
N'-[(1Z)-buta-1,3-dienyl]ethanimidamide
CID 88888743
N'-[(1Z)-buta-1,3-dienyl]propanimidamide
CID 89008112
N'-[(1Z)-3-methylbuta-1,3-dienyl]propanimidamide
CID 89008269
N'-[(1Z)-buta-1,3-dienyl]-2-methylpropanimidamide
CID 89140157
2-methyl-N'-[(Z)-prop-1-enyl]-N-prop-1-en-2-ylpropanimidamide
CID 89152923
N'-[(1Z)-buta-1,3-dienyl]-2,2-dimethylpropanimidamide
CID 89170099
N'-ethenyl-2-methyl-3-prop-2-enyliminobutanimidamide
CID 90755784
N'-prop-1-enylethanimidamide
CID 91572232
N'-but-1-enyl-2,3-dimethylbutanimidamide
CID 123270725
2-methyl-N'-[(1Z)-2-methylbuta-1,3-dienyl]butanimidamide
CID 123779823

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-N'-[(Z)-prop-1-enyl]propanimidamide?
The IUPAC name of ethane;2-methyl-N'-[(Z)-prop-1-enyl]propanimidamide (CID 153389365) is ethane;2-methyl-N'-[(Z)-prop-1-enyl]propanimidamide.
What is the SMILES notation for ethane;2-methyl-N'-[(Z)-prop-1-enyl]propanimidamide?
The canonical SMILES for ethane;2-methyl-N'-[(Z)-prop-1-enyl]propanimidamide is C/C=C\N=C(/N)C(C)C.CC.CC.
What is the InChIKey of ethane;2-methyl-N'-[(Z)-prop-1-enyl]propanimidamide?
The InChIKey is FGKLFCIYOPIXKG-WNCVTPEDSA-N. The full InChI is InChI=1S/C7H14N2.2C2H6/c1-4-5-9-7(8)6(2)3;2*1-2/h4-6H,1-3H3,(H2,8,9);2*1-2H3/b5-4-;;.
What are the key properties of ethane;2-methyl-N'-[(Z)-prop-1-enyl]propanimidamide?
ethane;2-methyl-N'-[(Z)-prop-1-enyl]propanimidamide has a molecular weight of 186.34 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-N'-[(Z)-prop-1-enyl]propanimidamide is sourced from PubChem (CID 153389365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).