N'-[3-(dimethylamino)propyl]-2-methylprop-2-enimidamide

C9H19N3 — CID 152658412

IUPACN'-[3-(dimethylamino)propyl]-2-methylprop-2-enimidamide
SMILESC=C(C)/C(N)=N/CCCN(C)C
InChIInChI=1S/C9H19N3/c1-8(2)9(10)11-6-5-7-12(3)4/h1,5-7H2,2-4H3,(H2,10,11)
InChIKeyZJAHFCLFMOIAMK-UHFFFAOYSA-N
MW169.27 g/mol
LogP0.87
Rot. Bonds5

About N'-[3-(dimethylamino)propyl]-2-methylprop-2-enimidamide

N'-[3-(dimethylamino)propyl]-2-methylprop-2-enimidamide (PubChem CID 152658412) has the molecular formula C9H19N3 and a molecular weight of 169.27 g/mol. Its IUPAC name is N'-[3-(dimethylamino)propyl]-2-methylprop-2-enimidamide.

Molecular Properties

Compound NameN'-[3-(dimethylamino)propyl]-2-methylprop-2-enimidamide
PubChem CID152658412
Molecular FormulaC9H19N3
Molecular Weight169.27 g/mol
Exact Mass169.16
IUPAC NameN'-[3-(dimethylamino)propyl]-2-methylprop-2-enimidamide
SMILESC=C(C)/C(N)=N/CCCN(C)C
InChIInChI=1S/C9H19N3/c1-8(2)9(10)11-6-5-7-12(3)4/h1,5-7H2,2-4H3,(H2,10,11)
InChIKeyZJAHFCLFMOIAMK-UHFFFAOYSA-N
XLogP0.87
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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'-[3-(dimethylamino)propyl]-2-methylprop-2-enimidamide?
The IUPAC name of N'-[3-(dimethylamino)propyl]-2-methylprop-2-enimidamide (CID 152658412) is N'-[3-(dimethylamino)propyl]-2-methylprop-2-enimidamide.
What is the SMILES notation for N'-[3-(dimethylamino)propyl]-2-methylprop-2-enimidamide?
The canonical SMILES for N'-[3-(dimethylamino)propyl]-2-methylprop-2-enimidamide is C=C(C)/C(N)=N/CCCN(C)C.
What is the InChIKey of N'-[3-(dimethylamino)propyl]-2-methylprop-2-enimidamide?
The InChIKey is ZJAHFCLFMOIAMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3/c1-8(2)9(10)11-6-5-7-12(3)4/h1,5-7H2,2-4H3,(H2,10,11).
What are the key properties of N'-[3-(dimethylamino)propyl]-2-methylprop-2-enimidamide?
N'-[3-(dimethylamino)propyl]-2-methylprop-2-enimidamide has a molecular weight of 169.27 g/mol, XLogP of 0.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(dimethylamino)propyl]-2-methylprop-2-enimidamide is sourced from PubChem (CID 152658412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).