N-amino-3-(4-methoxyphenyl)-N'-methylpropanimidamide

C11H17N3O — CID 61362269

IUPACN-amino-3-(4-methoxyphenyl)-N'-methylpropanimidamide
SMILESC/N=C(/CCc1ccc(OC)cc1)NN
InChIInChI=1S/C11H17N3O/c1-13-11(14-12)8-5-9-3-6-10(15-2)7-4-9/h3-4,6-7H,5,8,12H2,1-2H3,(H,13,14)
InChIKeyOZKZQFGTAXXYNP-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.12
Rot. Bonds4

About N-amino-3-(4-methoxyphenyl)-N'-methylpropanimidamide

N-amino-3-(4-methoxyphenyl)-N'-methylpropanimidamide (PubChem CID 61362269) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is N-amino-3-(4-methoxyphenyl)-N'-methylpropanimidamide.

Molecular Properties

Compound NameN-amino-3-(4-methoxyphenyl)-N'-methylpropanimidamide
PubChem CID61362269
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC NameN-amino-3-(4-methoxyphenyl)-N'-methylpropanimidamide
SMILESC/N=C(/CCc1ccc(OC)cc1)NN
InChIInChI=1S/C11H17N3O/c1-13-11(14-12)8-5-9-3-6-10(15-2)7-4-9/h3-4,6-7H,5,8,12H2,1-2H3,(H,13,14)
InChIKeyOZKZQFGTAXXYNP-UHFFFAOYSA-N
XLogP1.12
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-amino-N'-tert-butyl-3-(4-methoxyphenyl)propanimidamide
CID 61362907
N-amino-3-(4-methoxyphenyl)-N'-phenylpropanimidamide
CID 61362567
N'-hydroxy-3-(4-methoxyphenyl)propanimidamide
CID 77069671
5-(4-methoxyphenyl)pentanehydrazide
CID 59015987
2-bromoethyl 3-(4-methoxyphenyl)propanoate
CID 10356699
2-(4-hydroxyphenyl)ethyl 3-(4-methoxyphenyl)propanoate
CID 155323267
(4-methoxyphenyl)methyl 3-phenylpropanoate
CID 23201626
(4R)-4-amino-5-(4-methoxyphenyl)-N,N'-dimethylpentanimidamide
CID 163437990
N-amino-N'-(2-methoxyethyl)-2-(4-methoxyphenyl)ethanimidamide
CID 62544954
potassium 3-(4-methoxyphenyl)propanoate
CID 146050841
1-[2-(4-methoxyphenyl)ethyl]-2,3-dimethylguanidine;hydroiodide
CID 110913986
1-[2-(4-methoxyphenyl)ethyl]-2-methyl-3-propylguanidine
CID 111170675

Frequently Asked Questions

What is the IUPAC name of N-amino-3-(4-methoxyphenyl)-N'-methylpropanimidamide?
The IUPAC name of N-amino-3-(4-methoxyphenyl)-N'-methylpropanimidamide (CID 61362269) is N-amino-3-(4-methoxyphenyl)-N'-methylpropanimidamide.
What is the SMILES notation for N-amino-3-(4-methoxyphenyl)-N'-methylpropanimidamide?
The canonical SMILES for N-amino-3-(4-methoxyphenyl)-N'-methylpropanimidamide is C/N=C(/CCc1ccc(OC)cc1)NN.
What is the InChIKey of N-amino-3-(4-methoxyphenyl)-N'-methylpropanimidamide?
The InChIKey is OZKZQFGTAXXYNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-13-11(14-12)8-5-9-3-6-10(15-2)7-4-9/h3-4,6-7H,5,8,12H2,1-2H3,(H,13,14).
What are the key properties of N-amino-3-(4-methoxyphenyl)-N'-methylpropanimidamide?
N-amino-3-(4-methoxyphenyl)-N'-methylpropanimidamide has a molecular weight of 207.28 g/mol, XLogP of 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-3-(4-methoxyphenyl)-N'-methylpropanimidamide is sourced from PubChem (CID 61362269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).