N'-(2-methylbut-2-enyl)propanimidamide

C8H16N2 — CID 123877153

IUPACN'-(2-methylbut-2-enyl)propanimidamide
SMILESCC=C(C)C/N=C(/N)CC
InChIInChI=1S/C8H16N2/c1-4-7(3)6-10-8(9)5-2/h4H,5-6H2,1-3H3,(H2,9,10)
InChIKeyCTFCAYVWYYQHPH-UHFFFAOYSA-N
MW140.23 g/mol
LogP1.72
Rot. Bonds3

About N'-(2-methylbut-2-enyl)propanimidamide

N'-(2-methylbut-2-enyl)propanimidamide (PubChem CID 123877153) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is N'-(2-methylbut-2-enyl)propanimidamide.

Molecular Properties

Compound NameN'-(2-methylbut-2-enyl)propanimidamide
PubChem CID123877153
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC NameN'-(2-methylbut-2-enyl)propanimidamide
SMILESCC=C(C)C/N=C(/N)CC
InChIInChI=1S/C8H16N2/c1-4-7(3)6-10-8(9)5-2/h4H,5-6H2,1-3H3,(H2,9,10)
InChIKeyCTFCAYVWYYQHPH-UHFFFAOYSA-N
XLogP1.72
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.72
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(2-methylbut-2-enyl)propanimidamide?
The IUPAC name of N'-(2-methylbut-2-enyl)propanimidamide (CID 123877153) is N'-(2-methylbut-2-enyl)propanimidamide.
What is the SMILES notation for N'-(2-methylbut-2-enyl)propanimidamide?
The canonical SMILES for N'-(2-methylbut-2-enyl)propanimidamide is CC=C(C)C/N=C(/N)CC.
What is the InChIKey of N'-(2-methylbut-2-enyl)propanimidamide?
The InChIKey is CTFCAYVWYYQHPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-4-7(3)6-10-8(9)5-2/h4H,5-6H2,1-3H3,(H2,9,10).
What are the key properties of N'-(2-methylbut-2-enyl)propanimidamide?
N'-(2-methylbut-2-enyl)propanimidamide has a molecular weight of 140.23 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methylbut-2-enyl)propanimidamide is sourced from PubChem (CID 123877153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).