N'-[2-(2-methylprop-1-enylamino)propyl]methanimidamide

C8H17N3 — CID 170245327

IUPACN'-[2-(2-methylprop-1-enylamino)propyl]methanimidamide
SMILESCC(C)=CNC(C)C/N=C/N
InChIInChI=1S/C8H17N3/c1-7(2)4-11-8(3)5-10-6-9/h4,6,8,11H,5H2,1-3H3,(H2,9,10)
InChIKeyHLRNDWMGBVYUCA-UHFFFAOYSA-N
MW155.25 g/mol
LogP0.88
Rot. Bonds4

About N'-[2-(2-methylprop-1-enylamino)propyl]methanimidamide

N'-[2-(2-methylprop-1-enylamino)propyl]methanimidamide (PubChem CID 170245327) has the molecular formula C8H17N3 and a molecular weight of 155.25 g/mol. Its IUPAC name is N'-[2-(2-methylprop-1-enylamino)propyl]methanimidamide.

Molecular Properties

Compound NameN'-[2-(2-methylprop-1-enylamino)propyl]methanimidamide
PubChem CID170245327
Molecular FormulaC8H17N3
Molecular Weight155.25 g/mol
Exact Mass155.14
IUPAC NameN'-[2-(2-methylprop-1-enylamino)propyl]methanimidamide
SMILESCC(C)=CNC(C)C/N=C/N
InChIInChI=1S/C8H17N3/c1-7(2)4-11-8(3)5-10-6-9/h4,6,8,11H,5H2,1-3H3,(H2,9,10)
InChIKeyHLRNDWMGBVYUCA-UHFFFAOYSA-N
XLogP0.88
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.25
LogP ≤ 50.88
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-(2-methylprop-1-enylamino)propyl]methanimidamide?
The IUPAC name of N'-[2-(2-methylprop-1-enylamino)propyl]methanimidamide (CID 170245327) is N'-[2-(2-methylprop-1-enylamino)propyl]methanimidamide.
What is the SMILES notation for N'-[2-(2-methylprop-1-enylamino)propyl]methanimidamide?
The canonical SMILES for N'-[2-(2-methylprop-1-enylamino)propyl]methanimidamide is CC(C)=CNC(C)C/N=C/N.
What is the InChIKey of N'-[2-(2-methylprop-1-enylamino)propyl]methanimidamide?
The InChIKey is HLRNDWMGBVYUCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3/c1-7(2)4-11-8(3)5-10-6-9/h4,6,8,11H,5H2,1-3H3,(H2,9,10).
What are the key properties of N'-[2-(2-methylprop-1-enylamino)propyl]methanimidamide?
N'-[2-(2-methylprop-1-enylamino)propyl]methanimidamide has a molecular weight of 155.25 g/mol, XLogP of 0.88, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-methylprop-1-enylamino)propyl]methanimidamide is sourced from PubChem (CID 170245327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).