N-[(E)-but-2-en-2-yl]-N,N'-dimethylmethanimidamide

C7H14N2 — CID 130311603

IUPACN-[(E)-but-2-en-2-yl]-N,N'-dimethylmethanimidamide
SMILESC/C=C(\C)N(C)/C=N/C
InChIInChI=1S/C7H14N2/c1-5-7(2)9(4)6-8-3/h5-6H,1-4H3/b7-5+,8-6+
InChIKeyJKLPJFAMDUCNCF-KQQUZDAGSA-N
MW126.20 g/mol
LogP1.50
Rot. Bonds2

About N-[(E)-but-2-en-2-yl]-N,N'-dimethylmethanimidamide

N-[(E)-but-2-en-2-yl]-N,N'-dimethylmethanimidamide (PubChem CID 130311603) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is N-[(E)-but-2-en-2-yl]-N,N'-dimethylmethanimidamide.

Molecular Properties

Compound NameN-[(E)-but-2-en-2-yl]-N,N'-dimethylmethanimidamide
PubChem CID130311603
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC NameN-[(E)-but-2-en-2-yl]-N,N'-dimethylmethanimidamide
SMILESC/C=C(\C)N(C)/C=N/C
InChIInChI=1S/C7H14N2/c1-5-7(2)9(4)6-8-3/h5-6H,1-4H3/b7-5+,8-6+
InChIKeyJKLPJFAMDUCNCF-KQQUZDAGSA-N
XLogP1.50
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.50
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-[(E)-but-2-en-2-yl]-N,N'-dimethylmethanimidamide?
The IUPAC name of N-[(E)-but-2-en-2-yl]-N,N'-dimethylmethanimidamide (CID 130311603) is N-[(E)-but-2-en-2-yl]-N,N'-dimethylmethanimidamide.
What is the SMILES notation for N-[(E)-but-2-en-2-yl]-N,N'-dimethylmethanimidamide?
The canonical SMILES for N-[(E)-but-2-en-2-yl]-N,N'-dimethylmethanimidamide is C/C=C(\C)N(C)/C=N/C.
What is the InChIKey of N-[(E)-but-2-en-2-yl]-N,N'-dimethylmethanimidamide?
The InChIKey is JKLPJFAMDUCNCF-KQQUZDAGSA-N. The full InChI is InChI=1S/C7H14N2/c1-5-7(2)9(4)6-8-3/h5-6H,1-4H3/b7-5+,8-6+.
What are the key properties of N-[(E)-but-2-en-2-yl]-N,N'-dimethylmethanimidamide?
N-[(E)-but-2-en-2-yl]-N,N'-dimethylmethanimidamide has a molecular weight of 126.20 g/mol, XLogP of 1.50, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-but-2-en-2-yl]-N,N'-dimethylmethanimidamide is sourced from PubChem (CID 130311603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).