N'-[(Z)-but-2-en-2-yl]-N-methylidenepropanimidamide

C8H14N2 — CID 143926348

IUPACN'-[(Z)-but-2-en-2-yl]-N-methylidenepropanimidamide
SMILESC=N/C(CC)=N/C(C)=C\C
InChIInChI=1S/C8H14N2/c1-5-7(3)10-8(6-2)9-4/h5H,4,6H2,1-3H3/b7-5-,10-8+
InChIKeyMTQFUPWJFBUNFJ-SUTBWYPISA-N
MW138.21 g/mol
LogP2.42
Rot. Bonds2

About N'-[(Z)-but-2-en-2-yl]-N-methylidenepropanimidamide

N'-[(Z)-but-2-en-2-yl]-N-methylidenepropanimidamide (PubChem CID 143926348) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is N'-[(Z)-but-2-en-2-yl]-N-methylidenepropanimidamide.

Molecular Properties

Compound NameN'-[(Z)-but-2-en-2-yl]-N-methylidenepropanimidamide
PubChem CID143926348
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC NameN'-[(Z)-but-2-en-2-yl]-N-methylidenepropanimidamide
SMILESC=N/C(CC)=N/C(C)=C\C
InChIInChI=1S/C8H14N2/c1-5-7(3)10-8(6-2)9-4/h5H,4,6H2,1-3H3/b7-5-,10-8+
InChIKeyMTQFUPWJFBUNFJ-SUTBWYPISA-N
XLogP2.42
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.42
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'}

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Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-but-2-en-2-yl]-N-methylidenepropanimidamide?
The IUPAC name of N'-[(Z)-but-2-en-2-yl]-N-methylidenepropanimidamide (CID 143926348) is N'-[(Z)-but-2-en-2-yl]-N-methylidenepropanimidamide.
What is the SMILES notation for N'-[(Z)-but-2-en-2-yl]-N-methylidenepropanimidamide?
The canonical SMILES for N'-[(Z)-but-2-en-2-yl]-N-methylidenepropanimidamide is C=N/C(CC)=N/C(C)=C\C.
What is the InChIKey of N'-[(Z)-but-2-en-2-yl]-N-methylidenepropanimidamide?
The InChIKey is MTQFUPWJFBUNFJ-SUTBWYPISA-N. The full InChI is InChI=1S/C8H14N2/c1-5-7(3)10-8(6-2)9-4/h5H,4,6H2,1-3H3/b7-5-,10-8+.
What are the key properties of N'-[(Z)-but-2-en-2-yl]-N-methylidenepropanimidamide?
N'-[(Z)-but-2-en-2-yl]-N-methylidenepropanimidamide has a molecular weight of 138.21 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-but-2-en-2-yl]-N-methylidenepropanimidamide is sourced from PubChem (CID 143926348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).