ethane;N'-[(Z)-prop-1-enyl]butanimidamide

C9H20N2 — CID 156731995

IUPACethane;N'-[(Z)-prop-1-enyl]butanimidamide
SMILESC/C=C\N=C(\N)CCC.CC
InChIInChI=1S/C7H14N2.C2H6/c1-3-5-7(8)9-6-4-2;1-2/h4,6H,3,5H2,1-2H3,(H2,8,9);1-2H3/b6-4-;
InChIKeySXIXOKYCFQKNQA-YHSAGPEESA-N
MW156.27 g/mol
LogP2.70
Rot. Bonds3

About ethane;N'-[(Z)-prop-1-enyl]butanimidamide

ethane;N'-[(Z)-prop-1-enyl]butanimidamide (PubChem CID 156731995) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is ethane;N'-[(Z)-prop-1-enyl]butanimidamide.

Molecular Properties

Compound Nameethane;N'-[(Z)-prop-1-enyl]butanimidamide
PubChem CID156731995
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC Nameethane;N'-[(Z)-prop-1-enyl]butanimidamide
SMILESC/C=C\N=C(\N)CCC.CC
InChIInChI=1S/C7H14N2.C2H6/c1-3-5-7(8)9-6-4-2;1-2/h4,6H,3,5H2,1-2H3,(H2,8,9);1-2H3/b6-4-;
InChIKeySXIXOKYCFQKNQA-YHSAGPEESA-N
XLogP2.70
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 52.70
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

3,4-Dihydropyridin-2-amine;ethane
CID 53749850
N'-[(1Z)-buta-1,3-dienyl]ethanimidamide
CID 88888743
N'-[(1Z)-buta-1,3-dienyl]propanimidamide
CID 89008112
N'-[(1Z)-buta-1,3-dienyl]-2-methylpropanimidamide
CID 89140157
N'-[(1Z)-buta-1,3-dienyl]-2,2-dimethylpropanimidamide
CID 89170099
N'-[(Z)-but-1-enyl]ethanimidamide
CID 89322230
N'-ethenyl-2-methyl-3-prop-2-enyliminobutanimidamide
CID 90755784
N-ethenyl-N'-prop-1-enylbutanimidamide
CID 91047825
N'-prop-1-enylethanimidamide
CID 91572232
ethane;3H-pyrrol-2-amine
CID 91616708
N'-but-1-enyl-2,3-dimethylbutanimidamide
CID 123270725
N'-[(E)-2-(butan-2-ylideneamino)prop-1-enyl]ethanimidamide
CID 123348821

Frequently Asked Questions

What is the IUPAC name of ethane;N'-[(Z)-prop-1-enyl]butanimidamide?
The IUPAC name of ethane;N'-[(Z)-prop-1-enyl]butanimidamide (CID 156731995) is ethane;N'-[(Z)-prop-1-enyl]butanimidamide.
What is the SMILES notation for ethane;N'-[(Z)-prop-1-enyl]butanimidamide?
The canonical SMILES for ethane;N'-[(Z)-prop-1-enyl]butanimidamide is C/C=C\N=C(\N)CCC.CC.
What is the InChIKey of ethane;N'-[(Z)-prop-1-enyl]butanimidamide?
The InChIKey is SXIXOKYCFQKNQA-YHSAGPEESA-N. The full InChI is InChI=1S/C7H14N2.C2H6/c1-3-5-7(8)9-6-4-2;1-2/h4,6H,3,5H2,1-2H3,(H2,8,9);1-2H3/b6-4-;.
What are the key properties of ethane;N'-[(Z)-prop-1-enyl]butanimidamide?
ethane;N'-[(Z)-prop-1-enyl]butanimidamide has a molecular weight of 156.27 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N'-[(Z)-prop-1-enyl]butanimidamide is sourced from PubChem (CID 156731995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).