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

C6H10N2 — CID 123772088

IUPACN'-but-1-en-2-yl-N-methylidenemethanimidamide
SMILESC=N/C=N/C(=C)CC
InChIInChI=1S/C6H10N2/c1-4-6(2)8-5-7-3/h5H,2-4H2,1H3/b8-5+
InChIKeyGECBKRFUAZBRTA-VMPITWQZSA-N
MW110.16 g/mol
LogP1.64
Rot. Bonds3

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

N'-but-1-en-2-yl-N-methylidenemethanimidamide (PubChem CID 123772088) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is N'-but-1-en-2-yl-N-methylidenemethanimidamide.

Molecular Properties

Compound NameN'-but-1-en-2-yl-N-methylidenemethanimidamide
PubChem CID123772088
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC NameN'-but-1-en-2-yl-N-methylidenemethanimidamide
SMILESC=N/C=N/C(=C)CC
InChIInChI=1S/C6H10N2/c1-4-6(2)8-5-7-3/h5H,2-4H2,1H3/b8-5+
InChIKeyGECBKRFUAZBRTA-VMPITWQZSA-N
XLogP1.64
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 51.64
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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Related Compounds

N,N-dimethyl-N'-prop-1-en-2-ylmethanimidamide
CID 12222069
N'-prop-1-en-2-ylmethanimidamide
CID 15791485
N-but-1-en-2-ylmethanimine
CID 60089853
N-propan-2-ylidene-N'-prop-1-en-2-ylmethanimidamide
CID 89953215
1-Methylidene-2-prop-1-en-2-ylguanidine
CID 123445193
N'-but-1-en-2-yl-N-methyl-N-sulfanylmethanimidamide
CID 123486253
N'-but-1-en-2-yl-N,N-dimethylmethanimidamide
CID 123563027
N'-but-2-en-2-yl-N-methylidenemethanimidamide
CID 123795790
N-methylidene-N'-prop-1-en-2-ylmethanimidamide
CID 123870894
N'-[(Z)-but-2-en-2-yl]-N-methylidenemethanimidamide
CID 130280409
N'-but-1-en-2-yl-N-ethylidenemethanimidamide
CID 134316537
N-methyl-N'-prop-1-en-2-ylmethanediimine
CID 139761754

Frequently Asked Questions

What is the IUPAC name of N'-but-1-en-2-yl-N-methylidenemethanimidamide?
The IUPAC name of N'-but-1-en-2-yl-N-methylidenemethanimidamide (CID 123772088) is N'-but-1-en-2-yl-N-methylidenemethanimidamide.
What is the SMILES notation for N'-but-1-en-2-yl-N-methylidenemethanimidamide?
The canonical SMILES for N'-but-1-en-2-yl-N-methylidenemethanimidamide is C=N/C=N/C(=C)CC.
What is the InChIKey of N'-but-1-en-2-yl-N-methylidenemethanimidamide?
The InChIKey is GECBKRFUAZBRTA-VMPITWQZSA-N. The full InChI is InChI=1S/C6H10N2/c1-4-6(2)8-5-7-3/h5H,2-4H2,1H3/b8-5+.
What are the key properties of N'-but-1-en-2-yl-N-methylidenemethanimidamide?
N'-but-1-en-2-yl-N-methylidenemethanimidamide has a molecular weight of 110.16 g/mol, XLogP of 1.64, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-but-1-en-2-yl-N-methylidenemethanimidamide is sourced from PubChem (CID 123772088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).