N-but-1-en-2-yl-N'-methylethanimidamide

C7H14N2 — CID 89152931

IUPACN-but-1-en-2-yl-N'-methylethanimidamide
SMILESC=C(CC)N/C(C)=N/C
InChIInChI=1S/C7H14N2/c1-5-6(2)9-7(3)8-4/h2,5H2,1,3-4H3,(H,8,9)
InChIKeyZPRZEPYOWCQNOG-UHFFFAOYSA-N
MW126.20 g/mol
LogP1.55
Rot. Bonds2

About N-but-1-en-2-yl-N'-methylethanimidamide

N-but-1-en-2-yl-N'-methylethanimidamide (PubChem CID 89152931) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is N-but-1-en-2-yl-N'-methylethanimidamide.

Molecular Properties

Compound NameN-but-1-en-2-yl-N'-methylethanimidamide
PubChem CID89152931
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC NameN-but-1-en-2-yl-N'-methylethanimidamide
SMILESC=C(CC)N/C(C)=N/C
InChIInChI=1S/C7H14N2/c1-5-6(2)9-7(3)8-4/h2,5H2,1,3-4H3,(H,8,9)
InChIKeyZPRZEPYOWCQNOG-UHFFFAOYSA-N
XLogP1.55
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.55
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-[(1Z)-1-fluoro-3-methylbuta-1,3-dien-2-yl]-N'-methylethanimidamide
CID 164878265
6-methylidene-2-propan-2-yl-4,5-dihydro-1H-pyrimidine
CID 22959167
N'-but-1-en-2-ylethanimidamide
CID 89331542
N'-methyl-N-(3-methylbuta-1,3-dien-2-yl)ethanimidamide
CID 91266873
N'-methyl-N-prop-1-en-2-ylethanimidamide
CID 91470690
N'-(methylaminomethyl)-N-prop-1-en-2-ylethanimidamide
CID 123372608
N'-ethyl-N-prop-1-en-2-ylethanimidamide
CID 123768299
N,5-dimethyl-1,3-dihydropyrrol-2-imine
CID 136037612
N'-ethyl-N-[(E)-hex-3-en-3-yl]ethanimidamide
CID 139497311
2,5-dimethyl-6-methylidene-1H-pyrimidine
CID 141968414
N'-methyl-N-prop-1-en-2-ylpropanimidamide
CID 142586456
N'-methyl-N-prop-1-en-2-ylbutanimidamide
CID 143370921

Frequently Asked Questions

What is the IUPAC name of N-but-1-en-2-yl-N'-methylethanimidamide?
The IUPAC name of N-but-1-en-2-yl-N'-methylethanimidamide (CID 89152931) is N-but-1-en-2-yl-N'-methylethanimidamide.
What is the SMILES notation for N-but-1-en-2-yl-N'-methylethanimidamide?
The canonical SMILES for N-but-1-en-2-yl-N'-methylethanimidamide is C=C(CC)N/C(C)=N/C.
What is the InChIKey of N-but-1-en-2-yl-N'-methylethanimidamide?
The InChIKey is ZPRZEPYOWCQNOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2/c1-5-6(2)9-7(3)8-4/h2,5H2,1,3-4H3,(H,8,9).
What are the key properties of N-but-1-en-2-yl-N'-methylethanimidamide?
N-but-1-en-2-yl-N'-methylethanimidamide has a molecular weight of 126.20 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-1-en-2-yl-N'-methylethanimidamide is sourced from PubChem (CID 89152931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).