N-but-3-enylidene-N'-methylpropanimidamide

C8H14N2 — CID 143051286

IUPACN-but-3-enylidene-N'-methylpropanimidamide
SMILESC=CC/C=N/C(CC)=N/C
InChIInChI=1S/C8H14N2/c1-4-6-7-10-8(5-2)9-3/h4,7H,1,5-6H2,2-3H3/b9-8+,10-7+
InChIKeyZRBPTNOSPBVABZ-DGLUDJRXSA-N
MW138.21 g/mol
LogP2.07
Rot. Bonds3

About N-but-3-enylidene-N'-methylpropanimidamide

N-but-3-enylidene-N'-methylpropanimidamide (PubChem CID 143051286) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is N-but-3-enylidene-N'-methylpropanimidamide.

Molecular Properties

Compound NameN-but-3-enylidene-N'-methylpropanimidamide
PubChem CID143051286
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC NameN-but-3-enylidene-N'-methylpropanimidamide
SMILESC=CC/C=N/C(CC)=N/C
InChIInChI=1S/C8H14N2/c1-4-6-7-10-8(5-2)9-3/h4,7H,1,5-6H2,2-3H3/b9-8+,10-7+
InChIKeyZRBPTNOSPBVABZ-DGLUDJRXSA-N
XLogP2.07
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.07
H-Bond Donors ≤ 50
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-but-3-enylidene-N'-methylpropanimidamide?
The IUPAC name of N-but-3-enylidene-N'-methylpropanimidamide (CID 143051286) is N-but-3-enylidene-N'-methylpropanimidamide.
What is the SMILES notation for N-but-3-enylidene-N'-methylpropanimidamide?
The canonical SMILES for N-but-3-enylidene-N'-methylpropanimidamide is C=CC/C=N/C(CC)=N/C.
What is the InChIKey of N-but-3-enylidene-N'-methylpropanimidamide?
The InChIKey is ZRBPTNOSPBVABZ-DGLUDJRXSA-N. The full InChI is InChI=1S/C8H14N2/c1-4-6-7-10-8(5-2)9-3/h4,7H,1,5-6H2,2-3H3/b9-8+,10-7+.
What are the key properties of N-but-3-enylidene-N'-methylpropanimidamide?
N-but-3-enylidene-N'-methylpropanimidamide has a molecular weight of 138.21 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-enylidene-N'-methylpropanimidamide is sourced from PubChem (CID 143051286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).