N-but-1-en-2-yl-N,N'-dimethylethanimidamide

C8H16N2 — CID 146392602

IUPACN-but-1-en-2-yl-N,N'-dimethylethanimidamide
SMILESC=C(CC)N(C)/C(C)=N/C
InChIInChI=1S/C8H16N2/c1-6-7(2)10(5)8(3)9-4/h2,6H2,1,3-5H3/b9-8+
InChIKeyOZBVRUJFPNSIMJ-CMDGGOBGSA-N
MW140.23 g/mol
LogP1.89
Rot. Bonds2

About N-but-1-en-2-yl-N,N'-dimethylethanimidamide

N-but-1-en-2-yl-N,N'-dimethylethanimidamide (PubChem CID 146392602) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is N-but-1-en-2-yl-N,N'-dimethylethanimidamide.

Molecular Properties

Compound NameN-but-1-en-2-yl-N,N'-dimethylethanimidamide
PubChem CID146392602
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC NameN-but-1-en-2-yl-N,N'-dimethylethanimidamide
SMILESC=C(CC)N(C)/C(C)=N/C
InChIInChI=1S/C8H16N2/c1-6-7(2)10(5)8(3)9-4/h2,6H2,1,3-5H3/b9-8+
InChIKeyOZBVRUJFPNSIMJ-CMDGGOBGSA-N
XLogP1.89
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.89
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-but-1-en-2-yl-N,N'-dimethylethanimidamide?
The IUPAC name of N-but-1-en-2-yl-N,N'-dimethylethanimidamide (CID 146392602) is N-but-1-en-2-yl-N,N'-dimethylethanimidamide.
What is the SMILES notation for N-but-1-en-2-yl-N,N'-dimethylethanimidamide?
The canonical SMILES for N-but-1-en-2-yl-N,N'-dimethylethanimidamide is C=C(CC)N(C)/C(C)=N/C.
What is the InChIKey of N-but-1-en-2-yl-N,N'-dimethylethanimidamide?
The InChIKey is OZBVRUJFPNSIMJ-CMDGGOBGSA-N. The full InChI is InChI=1S/C8H16N2/c1-6-7(2)10(5)8(3)9-4/h2,6H2,1,3-5H3/b9-8+.
What are the key properties of N-but-1-en-2-yl-N,N'-dimethylethanimidamide?
N-but-1-en-2-yl-N,N'-dimethylethanimidamide has a molecular weight of 140.23 g/mol, XLogP of 1.89, 2 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,N'-dimethylethanimidamide is sourced from PubChem (CID 146392602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).