N'-[(1Z)-buta-1,3-dienyl]butanimidamide;ethane

C10H20N2 — CID 144754768

IUPACN'-[(1Z)-buta-1,3-dienyl]butanimidamide;ethane
SMILESC=C/C=C\N=C(\N)CCC.CC
InChIInChI=1S/C8H14N2.C2H6/c1-3-5-7-10-8(9)6-4-2;1-2/h3,5,7H,1,4,6H2,2H3,(H2,9,10);1-2H3/b7-5-;
InChIKeyRGSSIINQJWWMNE-YJOCEBFMSA-N
MW168.28 g/mol
LogP2.87
Rot. Bonds4

About N'-[(1Z)-buta-1,3-dienyl]butanimidamide;ethane

N'-[(1Z)-buta-1,3-dienyl]butanimidamide;ethane (PubChem CID 144754768) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is N'-[(1Z)-buta-1,3-dienyl]butanimidamide;ethane.

Molecular Properties

Compound NameN'-[(1Z)-buta-1,3-dienyl]butanimidamide;ethane
PubChem CID144754768
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC NameN'-[(1Z)-buta-1,3-dienyl]butanimidamide;ethane
SMILESC=C/C=C\N=C(\N)CCC.CC
InChIInChI=1S/C8H14N2.C2H6/c1-3-5-7-10-8(9)6-4-2;1-2/h3,5,7H,1,4,6H2,2H3,(H2,9,10);1-2H3/b7-5-;
InChIKeyRGSSIINQJWWMNE-YJOCEBFMSA-N
XLogP2.87
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.87
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

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
N'-[(1Z)-buta-1,3-dienyl]-2,2-dimethylpropanimidamide
CID 89170099
N'-ethenyl-2-methyl-3-prop-2-enyliminobutanimidamide
CID 90755784
N-ethenyl-N'-prop-1-enylbutanimidamide
CID 91047825
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
N'-[(Z)-but-1-enyl]propanimidamide
CID 124182432
N'-[(1Z,3Z)-penta-1,3-dienyl]ethanimidamide
CID 129029765

Frequently Asked Questions

What is the IUPAC name of N'-[(1Z)-buta-1,3-dienyl]butanimidamide;ethane?
The IUPAC name of N'-[(1Z)-buta-1,3-dienyl]butanimidamide;ethane (CID 144754768) is N'-[(1Z)-buta-1,3-dienyl]butanimidamide;ethane.
What is the SMILES notation for N'-[(1Z)-buta-1,3-dienyl]butanimidamide;ethane?
The canonical SMILES for N'-[(1Z)-buta-1,3-dienyl]butanimidamide;ethane is C=C/C=C\N=C(\N)CCC.CC.
What is the InChIKey of N'-[(1Z)-buta-1,3-dienyl]butanimidamide;ethane?
The InChIKey is RGSSIINQJWWMNE-YJOCEBFMSA-N. The full InChI is InChI=1S/C8H14N2.C2H6/c1-3-5-7-10-8(9)6-4-2;1-2/h3,5,7H,1,4,6H2,2H3,(H2,9,10);1-2H3/b7-5-;.
What are the key properties of N'-[(1Z)-buta-1,3-dienyl]butanimidamide;ethane?
N'-[(1Z)-buta-1,3-dienyl]butanimidamide;ethane has a molecular weight of 168.28 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1Z)-buta-1,3-dienyl]butanimidamide;ethane is sourced from PubChem (CID 144754768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).