(E)-N-butan-2-yl-N',2-dimethylbut-2-enimidamide

C10H20N2 — CID 118972865

IUPAC(E)-N-butan-2-yl-N',2-dimethylbut-2-enimidamide
SMILESC/C=C(C)/C(=N/C)NC(C)CC
InChIInChI=1S/C10H20N2/c1-6-8(3)10(11-5)12-9(4)7-2/h6,9H,7H2,1-5H3,(H,11,12)/b8-6+
InChIKeyNNVXGVLMGHCGFN-SOFGYWHQSA-N
MW168.28 g/mol
LogP2.37
Rot. Bonds3

About (E)-N-butan-2-yl-N',2-dimethylbut-2-enimidamide

(E)-N-butan-2-yl-N',2-dimethylbut-2-enimidamide (PubChem CID 118972865) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is (E)-N-butan-2-yl-N',2-dimethylbut-2-enimidamide.

Molecular Properties

Compound Name(E)-N-butan-2-yl-N',2-dimethylbut-2-enimidamide
PubChem CID118972865
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name(E)-N-butan-2-yl-N',2-dimethylbut-2-enimidamide
SMILESC/C=C(C)/C(=N/C)NC(C)CC
InChIInChI=1S/C10H20N2/c1-6-8(3)10(11-5)12-9(4)7-2/h6,9H,7H2,1-5H3,(H,11,12)/b8-6+
InChIKeyNNVXGVLMGHCGFN-SOFGYWHQSA-N
XLogP2.37
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.37
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 (E)-N-butan-2-yl-N',2-dimethylbut-2-enimidamide?
The IUPAC name of (E)-N-butan-2-yl-N',2-dimethylbut-2-enimidamide (CID 118972865) is (E)-N-butan-2-yl-N',2-dimethylbut-2-enimidamide.
What is the SMILES notation for (E)-N-butan-2-yl-N',2-dimethylbut-2-enimidamide?
The canonical SMILES for (E)-N-butan-2-yl-N',2-dimethylbut-2-enimidamide is C/C=C(C)/C(=N/C)NC(C)CC.
What is the InChIKey of (E)-N-butan-2-yl-N',2-dimethylbut-2-enimidamide?
The InChIKey is NNVXGVLMGHCGFN-SOFGYWHQSA-N. The full InChI is InChI=1S/C10H20N2/c1-6-8(3)10(11-5)12-9(4)7-2/h6,9H,7H2,1-5H3,(H,11,12)/b8-6+.
What are the key properties of (E)-N-butan-2-yl-N',2-dimethylbut-2-enimidamide?
(E)-N-butan-2-yl-N',2-dimethylbut-2-enimidamide has a molecular weight of 168.28 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-butan-2-yl-N',2-dimethylbut-2-enimidamide is sourced from PubChem (CID 118972865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).