N'-propylmethanimidamide

C4H10N2 — CID 19782023

IUPACN'-propylmethanimidamide
SMILESCCC/N=C/N
InChIInChI=1S/C4H10N2/c1-2-3-6-4-5/h4H,2-3H2,1H3,(H2,5,6)
InChIKeyFMMQARUOBVBKGJ-UHFFFAOYSA-N
MW86.14 g/mol
LogP0.38
Rot. Bonds2

About N'-propylmethanimidamide

N'-propylmethanimidamide (PubChem CID 19782023) has the molecular formula C4H10N2 and a molecular weight of 86.14 g/mol. Its IUPAC name is N'-propylmethanimidamide.

Molecular Properties

Compound NameN'-propylmethanimidamide
PubChem CID19782023
Molecular FormulaC4H10N2
Molecular Weight86.14 g/mol
Exact Mass86.08
IUPAC NameN'-propylmethanimidamide
SMILESCCC/N=C/N
InChIInChI=1S/C4H10N2/c1-2-3-6-4-5/h4H,2-3H2,1H3,(H2,5,6)
InChIKeyFMMQARUOBVBKGJ-UHFFFAOYSA-N
XLogP0.38
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50086.14
LogP ≤ 50.38
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'-propylmethanimidamide?
The IUPAC name of N'-propylmethanimidamide (CID 19782023) is N'-propylmethanimidamide.
What is the SMILES notation for N'-propylmethanimidamide?
The canonical SMILES for N'-propylmethanimidamide is CCC/N=C/N.
What is the InChIKey of N'-propylmethanimidamide?
The InChIKey is FMMQARUOBVBKGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2/c1-2-3-6-4-5/h4H,2-3H2,1H3,(H2,5,6).
What are the key properties of N'-propylmethanimidamide?
N'-propylmethanimidamide has a molecular weight of 86.14 g/mol, XLogP of 0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-propylmethanimidamide is sourced from PubChem (CID 19782023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).