N-(2-aminopropyl)-N'-methylprop-2-enimidamide

C7H15N3 — CID 123634791

IUPACN-(2-aminopropyl)-N'-methylprop-2-enimidamide
SMILESC=C/C(=N\C)NCC(C)N
InChIInChI=1S/C7H15N3/c1-4-7(9-3)10-5-6(2)8/h4,6H,1,5,8H2,2-3H3,(H,9,10)
InChIKeyQMMOEPPBTKLMIW-UHFFFAOYSA-N
MW141.22 g/mol
LogP0.14
Rot. Bonds3

About N-(2-aminopropyl)-N'-methylprop-2-enimidamide

N-(2-aminopropyl)-N'-methylprop-2-enimidamide (PubChem CID 123634791) has the molecular formula C7H15N3 and a molecular weight of 141.22 g/mol. Its IUPAC name is N-(2-aminopropyl)-N'-methylprop-2-enimidamide.

Molecular Properties

Compound NameN-(2-aminopropyl)-N'-methylprop-2-enimidamide
PubChem CID123634791
Molecular FormulaC7H15N3
Molecular Weight141.22 g/mol
Exact Mass141.13
IUPAC NameN-(2-aminopropyl)-N'-methylprop-2-enimidamide
SMILESC=C/C(=N\C)NCC(C)N
InChIInChI=1S/C7H15N3/c1-4-7(9-3)10-5-6(2)8/h4,6H,1,5,8H2,2-3H3,(H,9,10)
InChIKeyQMMOEPPBTKLMIW-UHFFFAOYSA-N
XLogP0.14
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.22
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-aminopropyl)-N'-methylprop-2-enimidamide?
The IUPAC name of N-(2-aminopropyl)-N'-methylprop-2-enimidamide (CID 123634791) is N-(2-aminopropyl)-N'-methylprop-2-enimidamide.
What is the SMILES notation for N-(2-aminopropyl)-N'-methylprop-2-enimidamide?
The canonical SMILES for N-(2-aminopropyl)-N'-methylprop-2-enimidamide is C=C/C(=N\C)NCC(C)N.
What is the InChIKey of N-(2-aminopropyl)-N'-methylprop-2-enimidamide?
The InChIKey is QMMOEPPBTKLMIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3/c1-4-7(9-3)10-5-6(2)8/h4,6H,1,5,8H2,2-3H3,(H,9,10).
What are the key properties of N-(2-aminopropyl)-N'-methylprop-2-enimidamide?
N-(2-aminopropyl)-N'-methylprop-2-enimidamide has a molecular weight of 141.22 g/mol, XLogP of 0.14, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminopropyl)-N'-methylprop-2-enimidamide is sourced from PubChem (CID 123634791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).