N-[(1Z)-buta-1,3-dienyl]-N'-(2-methylprop-1-enyl)methanimidamide

C9H14N2 — CID 123393080

IUPACN-[(1Z)-buta-1,3-dienyl]-N'-(2-methylprop-1-enyl)methanimidamide
SMILESC=C/C=C\N/C=N/C=C(C)C
InChIInChI=1S/C9H14N2/c1-4-5-6-10-8-11-7-9(2)3/h4-8H,1H2,2-3H3,(H,10,11)/b6-5-
InChIKeyVHINTRGHSMQRPQ-WAYWQWQTSA-N
MW150.22 g/mol
LogP2.23
Rot. Bonds4

About N-[(1Z)-buta-1,3-dienyl]-N'-(2-methylprop-1-enyl)methanimidamide

N-[(1Z)-buta-1,3-dienyl]-N'-(2-methylprop-1-enyl)methanimidamide (PubChem CID 123393080) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is N-[(1Z)-buta-1,3-dienyl]-N'-(2-methylprop-1-enyl)methanimidamide.

Molecular Properties

Compound NameN-[(1Z)-buta-1,3-dienyl]-N'-(2-methylprop-1-enyl)methanimidamide
PubChem CID123393080
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC NameN-[(1Z)-buta-1,3-dienyl]-N'-(2-methylprop-1-enyl)methanimidamide
SMILESC=C/C=C\N/C=N/C=C(C)C
InChIInChI=1S/C9H14N2/c1-4-5-6-10-8-11-7-9(2)3/h4-8H,1H2,2-3H3,(H,10,11)/b6-5-
InChIKeyVHINTRGHSMQRPQ-WAYWQWQTSA-N
XLogP2.23
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.23
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

1H-1,3-Diazepine
CID 12312962
N'-ethyl-N-[(1Z,3E)-5-fluoro-3-methylpenta-1,3-dienyl]methanimidamide
CID 142309219
N'-ethyl-N-prop-1-enylmethanimidamide
CID 54520223
1-(2-methylprop-1-enyl)-1H-imidazol-1-ium chloride
CID 87917892
1-[(1Z)-buta-1,3-dienyl]-2-propylguanidine
CID 89205394
N-[(E)-but-1-enyl]-N'-methylmethanimidamide
CID 89294540
N'-[(1Z)-3-methylbuta-1,3-dienyl]methanimidamide
CID 89390396
N'-(3-aminopropyl)-N-[(Z)-prop-1-enyl]methanimidamide
CID 89672431
N'-butyl-N-[(Z)-prop-1-enyl]methanimidamide
CID 89770656
N'-ethyl-N-[(Z)-prop-1-enyl]methanimidamide
CID 90248445
N'-(2-aminoethyl)-N-[(Z)-prop-1-enyl]methanimidamide
CID 90322311
N'-methyl-N-[(E)-3-methylbut-1-enyl]methanimidamide
CID 90370990

Frequently Asked Questions

What is the IUPAC name of N-[(1Z)-buta-1,3-dienyl]-N'-(2-methylprop-1-enyl)methanimidamide?
The IUPAC name of N-[(1Z)-buta-1,3-dienyl]-N'-(2-methylprop-1-enyl)methanimidamide (CID 123393080) is N-[(1Z)-buta-1,3-dienyl]-N'-(2-methylprop-1-enyl)methanimidamide.
What is the SMILES notation for N-[(1Z)-buta-1,3-dienyl]-N'-(2-methylprop-1-enyl)methanimidamide?
The canonical SMILES for N-[(1Z)-buta-1,3-dienyl]-N'-(2-methylprop-1-enyl)methanimidamide is C=C/C=C\N/C=N/C=C(C)C.
What is the InChIKey of N-[(1Z)-buta-1,3-dienyl]-N'-(2-methylprop-1-enyl)methanimidamide?
The InChIKey is VHINTRGHSMQRPQ-WAYWQWQTSA-N. The full InChI is InChI=1S/C9H14N2/c1-4-5-6-10-8-11-7-9(2)3/h4-8H,1H2,2-3H3,(H,10,11)/b6-5-.
What are the key properties of N-[(1Z)-buta-1,3-dienyl]-N'-(2-methylprop-1-enyl)methanimidamide?
N-[(1Z)-buta-1,3-dienyl]-N'-(2-methylprop-1-enyl)methanimidamide has a molecular weight of 150.22 g/mol, XLogP of 2.23, 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]-N'-(2-methylprop-1-enyl)methanimidamide is sourced from PubChem (CID 123393080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).