N-(2-methylbut-1-enyl)-N'-(methyliminomethyl)methanimidamide

C8H15N3 — CID 123917980

IUPACN-(2-methylbut-1-enyl)-N'-(methyliminomethyl)methanimidamide
SMILESCCC(C)=CN/C=N/C=N/C
InChIInChI=1S/C8H15N3/c1-4-8(2)5-10-7-11-6-9-3/h5-7H,4H2,1-3H3,(H,9,10,11)
InChIKeyNAGDRRUHOOWIJW-UHFFFAOYSA-N
MW153.23 g/mol
LogP1.58
Rot. Bonds4

About N-(2-methylbut-1-enyl)-N'-(methyliminomethyl)methanimidamide

N-(2-methylbut-1-enyl)-N'-(methyliminomethyl)methanimidamide (PubChem CID 123917980) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is N-(2-methylbut-1-enyl)-N'-(methyliminomethyl)methanimidamide.

Molecular Properties

Compound NameN-(2-methylbut-1-enyl)-N'-(methyliminomethyl)methanimidamide
PubChem CID123917980
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC NameN-(2-methylbut-1-enyl)-N'-(methyliminomethyl)methanimidamide
SMILESCCC(C)=CN/C=N/C=N/C
InChIInChI=1S/C8H15N3/c1-4-8(2)5-10-7-11-6-9-3/h5-7H,4H2,1-3H3,(H,9,10,11)
InChIKeyNAGDRRUHOOWIJW-UHFFFAOYSA-N
XLogP1.58
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 51.58
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-methylbut-1-enyl)-N'-(methyliminomethyl)methanimidamide?
The IUPAC name of N-(2-methylbut-1-enyl)-N'-(methyliminomethyl)methanimidamide (CID 123917980) is N-(2-methylbut-1-enyl)-N'-(methyliminomethyl)methanimidamide.
What is the SMILES notation for N-(2-methylbut-1-enyl)-N'-(methyliminomethyl)methanimidamide?
The canonical SMILES for N-(2-methylbut-1-enyl)-N'-(methyliminomethyl)methanimidamide is CCC(C)=CN/C=N/C=N/C.
What is the InChIKey of N-(2-methylbut-1-enyl)-N'-(methyliminomethyl)methanimidamide?
The InChIKey is NAGDRRUHOOWIJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3/c1-4-8(2)5-10-7-11-6-9-3/h5-7H,4H2,1-3H3,(H,9,10,11).
What are the key properties of N-(2-methylbut-1-enyl)-N'-(methyliminomethyl)methanimidamide?
N-(2-methylbut-1-enyl)-N'-(methyliminomethyl)methanimidamide has a molecular weight of 153.23 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbut-1-enyl)-N'-(methyliminomethyl)methanimidamide is sourced from PubChem (CID 123917980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).