N'-tert-butyl-N-(3-methylbut-1-en-2-yl)methanimidamide

C10H20N2 — CID 174332901

IUPACN'-tert-butyl-N-(3-methylbut-1-en-2-yl)methanimidamide
SMILESC=C(N/C=N/C(C)(C)C)C(C)C
InChIInChI=1S/C10H20N2/c1-8(2)9(3)11-7-12-10(4,5)6/h7-8H,3H2,1-2,4-6H3,(H,11,12)
InChIKeyOLQZPGCLMSGXTK-UHFFFAOYSA-N
MW168.28 g/mol
LogP2.57
Rot. Bonds3

About N'-tert-butyl-N-(3-methylbut-1-en-2-yl)methanimidamide

N'-tert-butyl-N-(3-methylbut-1-en-2-yl)methanimidamide (PubChem CID 174332901) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is N'-tert-butyl-N-(3-methylbut-1-en-2-yl)methanimidamide.

Molecular Properties

Compound NameN'-tert-butyl-N-(3-methylbut-1-en-2-yl)methanimidamide
PubChem CID174332901
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC NameN'-tert-butyl-N-(3-methylbut-1-en-2-yl)methanimidamide
SMILESC=C(N/C=N/C(C)(C)C)C(C)C
InChIInChI=1S/C10H20N2/c1-8(2)9(3)11-7-12-10(4,5)6/h7-8H,3H2,1-2,4-6H3,(H,11,12)
InChIKeyOLQZPGCLMSGXTK-UHFFFAOYSA-N
XLogP2.57
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 ≤ 52.57
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'-tert-butyl-N-(3-methylbut-1-en-2-yl)methanimidamide?
The IUPAC name of N'-tert-butyl-N-(3-methylbut-1-en-2-yl)methanimidamide (CID 174332901) is N'-tert-butyl-N-(3-methylbut-1-en-2-yl)methanimidamide.
What is the SMILES notation for N'-tert-butyl-N-(3-methylbut-1-en-2-yl)methanimidamide?
The canonical SMILES for N'-tert-butyl-N-(3-methylbut-1-en-2-yl)methanimidamide is C=C(N/C=N/C(C)(C)C)C(C)C.
What is the InChIKey of N'-tert-butyl-N-(3-methylbut-1-en-2-yl)methanimidamide?
The InChIKey is OLQZPGCLMSGXTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-8(2)9(3)11-7-12-10(4,5)6/h7-8H,3H2,1-2,4-6H3,(H,11,12).
What are the key properties of N'-tert-butyl-N-(3-methylbut-1-en-2-yl)methanimidamide?
N'-tert-butyl-N-(3-methylbut-1-en-2-yl)methanimidamide has a molecular weight of 168.28 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-N-(3-methylbut-1-en-2-yl)methanimidamide is sourced from PubChem (CID 174332901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).