N'-methyl-N-prop-1-en-2-ylbutanimidamide

C8H16N2 — CID 143370921

IUPACN'-methyl-N-prop-1-en-2-ylbutanimidamide
SMILESC=C(C)N/C(CCC)=N/C
InChIInChI=1S/C8H16N2/c1-5-6-8(9-4)10-7(2)3/h2,5-6H2,1,3-4H3,(H,9,10)
InChIKeyZUDDINLPUMAFNQ-UHFFFAOYSA-N
MW140.23 g/mol
LogP1.94
Rot. Bonds3

About N'-methyl-N-prop-1-en-2-ylbutanimidamide

N'-methyl-N-prop-1-en-2-ylbutanimidamide (PubChem CID 143370921) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is N'-methyl-N-prop-1-en-2-ylbutanimidamide.

Molecular Properties

Compound NameN'-methyl-N-prop-1-en-2-ylbutanimidamide
PubChem CID143370921
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC NameN'-methyl-N-prop-1-en-2-ylbutanimidamide
SMILESC=C(C)N/C(CCC)=N/C
InChIInChI=1S/C8H16N2/c1-5-6-8(9-4)10-7(2)3/h2,5-6H2,1,3-4H3,(H,9,10)
InChIKeyZUDDINLPUMAFNQ-UHFFFAOYSA-N
XLogP1.94
TPSA24.39 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 ≤ 51.94
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'}

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Related Compounds

N',2-dimethyl-N-prop-1-en-2-ylpropanimidamide
CID 89152922
2-methyl-N'-[(Z)-prop-1-enyl]-N-prop-1-en-2-ylpropanimidamide
CID 89152923
N-but-1-en-2-yl-N'-methylethanimidamide
CID 89152931
N'-but-2-en-2-yl-N-prop-1-en-2-ylethanimidamide
CID 91073028
N-[(E)-but-2-en-2-yl]-N'-propan-2-ylethanimidamide
CID 91170890
N'-methyl-N-prop-1-en-2-ylethanimidamide
CID 91470690
N,N'-bis(but-2-en-2-yl)ethanimidamide
CID 123267429
N,N'-bis(but-2-en-2-yl)propanimidamide
CID 123391975
N-[(Z)-but-2-en-2-yl]-N'-but-2-en-2-ylethanimidamide
CID 123655703
2,2-dimethyl-N'-propan-2-yl-N-prop-1-en-2-ylpropanimidamide
CID 123700075
N'-ethyl-N-prop-1-en-2-ylethanimidamide
CID 123768299
4-methyl-N-prop-1-en-2-yl-3,5,6,7-tetrahydro-2H-1,4-diazocin-8-amine
CID 137511059

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-prop-1-en-2-ylbutanimidamide?
The IUPAC name of N'-methyl-N-prop-1-en-2-ylbutanimidamide (CID 143370921) is N'-methyl-N-prop-1-en-2-ylbutanimidamide.
What is the SMILES notation for N'-methyl-N-prop-1-en-2-ylbutanimidamide?
The canonical SMILES for N'-methyl-N-prop-1-en-2-ylbutanimidamide is C=C(C)N/C(CCC)=N/C.
What is the InChIKey of N'-methyl-N-prop-1-en-2-ylbutanimidamide?
The InChIKey is ZUDDINLPUMAFNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-5-6-8(9-4)10-7(2)3/h2,5-6H2,1,3-4H3,(H,9,10).
What are the key properties of N'-methyl-N-prop-1-en-2-ylbutanimidamide?
N'-methyl-N-prop-1-en-2-ylbutanimidamide has a molecular weight of 140.23 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-prop-1-en-2-ylbutanimidamide is sourced from PubChem (CID 143370921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).