N'-butan-2-ylmethanimidamide

C5H12N2 — CID 13225428

IUPACN'-butan-2-ylmethanimidamide
SMILESCCC(C)/N=C/N
InChIInChI=1S/C5H12N2/c1-3-5(2)7-4-6/h4-5H,3H2,1-2H3,(H2,6,7)
InChIKeyKNMNCNIPDGAAHL-UHFFFAOYSA-N
MW100.16 g/mol
LogP0.77
Rot. Bonds2

About N'-butan-2-ylmethanimidamide

N'-butan-2-ylmethanimidamide (PubChem CID 13225428) has the molecular formula C5H12N2 and a molecular weight of 100.16 g/mol. Its IUPAC name is N'-butan-2-ylmethanimidamide.

Molecular Properties

Compound NameN'-butan-2-ylmethanimidamide
PubChem CID13225428
Molecular FormulaC5H12N2
Molecular Weight100.16 g/mol
Exact Mass100.10
IUPAC NameN'-butan-2-ylmethanimidamide
SMILESCCC(C)/N=C/N
InChIInChI=1S/C5H12N2/c1-3-5(2)7-4-6/h4-5H,3H2,1-2H3,(H2,6,7)
InChIKeyKNMNCNIPDGAAHL-UHFFFAOYSA-N
XLogP0.77
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.16
LogP ≤ 50.77
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'-butan-2-ylmethanimidamide?
The IUPAC name of N'-butan-2-ylmethanimidamide (CID 13225428) is N'-butan-2-ylmethanimidamide.
What is the SMILES notation for N'-butan-2-ylmethanimidamide?
The canonical SMILES for N'-butan-2-ylmethanimidamide is CCC(C)/N=C/N.
What is the InChIKey of N'-butan-2-ylmethanimidamide?
The InChIKey is KNMNCNIPDGAAHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2/c1-3-5(2)7-4-6/h4-5H,3H2,1-2H3,(H2,6,7).
What are the key properties of N'-butan-2-ylmethanimidamide?
N'-butan-2-ylmethanimidamide has a molecular weight of 100.16 g/mol, XLogP of 0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butan-2-ylmethanimidamide is sourced from PubChem (CID 13225428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).