N',2,3-trimethyl-N-[(Z)-2-methylbut-1-enyl]butanimidamide

C12H24N2 — CID 139334741

IUPACN',2,3-trimethyl-N-[(Z)-2-methylbut-1-enyl]butanimidamide
SMILESCC/C(C)=C\N/C(=N\C)C(C)C(C)C
InChIInChI=1S/C12H24N2/c1-7-10(4)8-14-12(13-6)11(5)9(2)3/h8-9,11H,7H2,1-6H3,(H,13,14)/b10-8-
InChIKeySDSTYXYVBGUWRT-NTMALXAHSA-N
MW196.34 g/mol
LogP3.21
Rot. Bonds4

About N',2,3-trimethyl-N-[(Z)-2-methylbut-1-enyl]butanimidamide

N',2,3-trimethyl-N-[(Z)-2-methylbut-1-enyl]butanimidamide (PubChem CID 139334741) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is N',2,3-trimethyl-N-[(Z)-2-methylbut-1-enyl]butanimidamide.

Molecular Properties

Compound NameN',2,3-trimethyl-N-[(Z)-2-methylbut-1-enyl]butanimidamide
PubChem CID139334741
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC NameN',2,3-trimethyl-N-[(Z)-2-methylbut-1-enyl]butanimidamide
SMILESCC/C(C)=C\N/C(=N\C)C(C)C(C)C
InChIInChI=1S/C12H24N2/c1-7-10(4)8-14-12(13-6)11(5)9(2)3/h8-9,11H,7H2,1-6H3,(H,13,14)/b10-8-
InChIKeySDSTYXYVBGUWRT-NTMALXAHSA-N
XLogP3.21
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 53.21
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',2,3-trimethyl-N-[(Z)-2-methylbut-1-enyl]butanimidamide?
The IUPAC name of N',2,3-trimethyl-N-[(Z)-2-methylbut-1-enyl]butanimidamide (CID 139334741) is N',2,3-trimethyl-N-[(Z)-2-methylbut-1-enyl]butanimidamide.
What is the SMILES notation for N',2,3-trimethyl-N-[(Z)-2-methylbut-1-enyl]butanimidamide?
The canonical SMILES for N',2,3-trimethyl-N-[(Z)-2-methylbut-1-enyl]butanimidamide is CC/C(C)=C\N/C(=N\C)C(C)C(C)C.
What is the InChIKey of N',2,3-trimethyl-N-[(Z)-2-methylbut-1-enyl]butanimidamide?
The InChIKey is SDSTYXYVBGUWRT-NTMALXAHSA-N. The full InChI is InChI=1S/C12H24N2/c1-7-10(4)8-14-12(13-6)11(5)9(2)3/h8-9,11H,7H2,1-6H3,(H,13,14)/b10-8-.
What are the key properties of N',2,3-trimethyl-N-[(Z)-2-methylbut-1-enyl]butanimidamide?
N',2,3-trimethyl-N-[(Z)-2-methylbut-1-enyl]butanimidamide has a molecular weight of 196.34 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N',2,3-trimethyl-N-[(Z)-2-methylbut-1-enyl]butanimidamide is sourced from PubChem (CID 139334741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).