N-amino-N'-tert-butyl-3-(4-methoxyphenyl)propanimidamide

C14H23N3O — CID 61362907

IUPACN-amino-N'-tert-butyl-3-(4-methoxyphenyl)propanimidamide
SMILESCOc1ccc(CC/C(=N/C(C)(C)C)NN)cc1
InChIInChI=1S/C14H23N3O/c1-14(2,3)16-13(17-15)10-7-11-5-8-12(18-4)9-6-11/h5-6,8-9H,7,10,15H2,1-4H3,(H,16,17)
InChIKeyJPPNGXBTPJGLEJ-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.29
Rot. Bonds4

About N-amino-N'-tert-butyl-3-(4-methoxyphenyl)propanimidamide

N-amino-N'-tert-butyl-3-(4-methoxyphenyl)propanimidamide (PubChem CID 61362907) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N-amino-N'-tert-butyl-3-(4-methoxyphenyl)propanimidamide.

Molecular Properties

Compound NameN-amino-N'-tert-butyl-3-(4-methoxyphenyl)propanimidamide
PubChem CID61362907
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN-amino-N'-tert-butyl-3-(4-methoxyphenyl)propanimidamide
SMILESCOc1ccc(CC/C(=N/C(C)(C)C)NN)cc1
InChIInChI=1S/C14H23N3O/c1-14(2,3)16-13(17-15)10-7-11-5-8-12(18-4)9-6-11/h5-6,8-9H,7,10,15H2,1-4H3,(H,16,17)
InChIKeyJPPNGXBTPJGLEJ-UHFFFAOYSA-N
XLogP2.29
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.29
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-3-(4-methoxyphenyl)-N'-methylpropanimidamide
CID 61362269
N-amino-3-(4-methoxyphenyl)-N'-phenylpropanimidamide
CID 61362567
N'-hydroxy-3-(4-methoxyphenyl)propanimidamide
CID 77069671
5-(4-methoxyphenyl)pentanehydrazide
CID 59015987
tert-butyl 3-(4-methoxyphenyl)propanoate
CID 63896650
N-amino-N'-(2-methoxyethyl)-2-(4-methoxyphenyl)ethanimidamide
CID 62544954
N-(1-hydroxy-2-methylpropan-2-yl)-3-(4-methoxyphenyl)propanamide
CID 43390565
1-(4-methoxyphenyl)-4,4-dimethylhexan-3-one
CID 114974365
2-bromoethyl 3-(4-methoxyphenyl)propanoate
CID 10356699
1-(4-methoxyphenyl)-4,4-dimethylpentan-3-amine
CID 64503950
potassium 3-(4-methoxyphenyl)propanoate
CID 146050841
(4-methoxyphenyl)methyl 3-phenylpropanoate
CID 23201626

Frequently Asked Questions

What is the IUPAC name of N-amino-N'-tert-butyl-3-(4-methoxyphenyl)propanimidamide?
The IUPAC name of N-amino-N'-tert-butyl-3-(4-methoxyphenyl)propanimidamide (CID 61362907) is N-amino-N'-tert-butyl-3-(4-methoxyphenyl)propanimidamide.
What is the SMILES notation for N-amino-N'-tert-butyl-3-(4-methoxyphenyl)propanimidamide?
The canonical SMILES for N-amino-N'-tert-butyl-3-(4-methoxyphenyl)propanimidamide is COc1ccc(CC/C(=N/C(C)(C)C)NN)cc1.
What is the InChIKey of N-amino-N'-tert-butyl-3-(4-methoxyphenyl)propanimidamide?
The InChIKey is JPPNGXBTPJGLEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-14(2,3)16-13(17-15)10-7-11-5-8-12(18-4)9-6-11/h5-6,8-9H,7,10,15H2,1-4H3,(H,16,17).
What are the key properties of N-amino-N'-tert-butyl-3-(4-methoxyphenyl)propanimidamide?
N-amino-N'-tert-butyl-3-(4-methoxyphenyl)propanimidamide has a molecular weight of 249.36 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-tert-butyl-3-(4-methoxyphenyl)propanimidamide is sourced from PubChem (CID 61362907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).