N'-but-1-enyl-2,3-dimethylbutanimidamide

C10H20N2 — CID 123270725

IUPACN'-but-1-enyl-2,3-dimethylbutanimidamide
SMILESCCC=C/N=C(\N)C(C)C(C)C
InChIInChI=1S/C10H20N2/c1-5-6-7-12-10(11)9(4)8(2)3/h6-9H,5H2,1-4H3,(H2,11,12)
InChIKeyHVBZMCKSZMYRGU-UHFFFAOYSA-N
MW168.28 g/mol
LogP2.56
Rot. Bonds4

About N'-but-1-enyl-2,3-dimethylbutanimidamide

N'-but-1-enyl-2,3-dimethylbutanimidamide (PubChem CID 123270725) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is N'-but-1-enyl-2,3-dimethylbutanimidamide.

Molecular Properties

Compound NameN'-but-1-enyl-2,3-dimethylbutanimidamide
PubChem CID123270725
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC NameN'-but-1-enyl-2,3-dimethylbutanimidamide
SMILESCCC=C/N=C(\N)C(C)C(C)C
InChIInChI=1S/C10H20N2/c1-5-6-7-12-10(11)9(4)8(2)3/h6-9H,5H2,1-4H3,(H2,11,12)
InChIKeyHVBZMCKSZMYRGU-UHFFFAOYSA-N
XLogP2.56
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.56
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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Frequently Asked Questions

What is the IUPAC name of N'-but-1-enyl-2,3-dimethylbutanimidamide?
The IUPAC name of N'-but-1-enyl-2,3-dimethylbutanimidamide (CID 123270725) is N'-but-1-enyl-2,3-dimethylbutanimidamide.
What is the SMILES notation for N'-but-1-enyl-2,3-dimethylbutanimidamide?
The canonical SMILES for N'-but-1-enyl-2,3-dimethylbutanimidamide is CCC=C/N=C(\N)C(C)C(C)C.
What is the InChIKey of N'-but-1-enyl-2,3-dimethylbutanimidamide?
The InChIKey is HVBZMCKSZMYRGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-5-6-7-12-10(11)9(4)8(2)3/h6-9H,5H2,1-4H3,(H2,11,12).
What are the key properties of N'-but-1-enyl-2,3-dimethylbutanimidamide?
N'-but-1-enyl-2,3-dimethylbutanimidamide has a molecular weight of 168.28 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-but-1-enyl-2,3-dimethylbutanimidamide is sourced from PubChem (CID 123270725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).