N'-hydroxy-3-[naphthalen-1-ylmethyl(propan-2-yl)amino]propanimidamide

C17H23N3O — CID 76911368

IUPACN'-hydroxy-3-[naphthalen-1-ylmethyl(propan-2-yl)amino]propanimidamide
SMILESCC(C)N(CCC(N)=NO)Cc1cccc2ccccc12
InChIInChI=1S/C17H23N3O/c1-13(2)20(11-10-17(18)19-21)12-15-8-5-7-14-6-3-4-9-16(14)15/h3-9,13,21H,10-12H2,1-2H3,(H2,18,19)
InChIKeyXRLJXAYXKOPJEP-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.19
Rot. Bonds6

About N'-hydroxy-3-[naphthalen-1-ylmethyl(propan-2-yl)amino]propanimidamide

N'-hydroxy-3-[naphthalen-1-ylmethyl(propan-2-yl)amino]propanimidamide (PubChem CID 76911368) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is N'-hydroxy-3-[naphthalen-1-ylmethyl(propan-2-yl)amino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[naphthalen-1-ylmethyl(propan-2-yl)amino]propanimidamide
PubChem CID76911368
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN'-hydroxy-3-[naphthalen-1-ylmethyl(propan-2-yl)amino]propanimidamide
SMILESCC(C)N(CCC(N)=NO)Cc1cccc2ccccc12
InChIInChI=1S/C17H23N3O/c1-13(2)20(11-10-17(18)19-21)12-15-8-5-7-14-6-3-4-9-16(14)15/h3-9,13,21H,10-12H2,1-2H3,(H2,18,19)
InChIKeyXRLJXAYXKOPJEP-UHFFFAOYSA-N
XLogP3.19
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[naphthalen-1-ylmethyl(propan-2-yl)amino]propanimidamide?
The IUPAC name of N'-hydroxy-3-[naphthalen-1-ylmethyl(propan-2-yl)amino]propanimidamide (CID 76911368) is N'-hydroxy-3-[naphthalen-1-ylmethyl(propan-2-yl)amino]propanimidamide.
What is the SMILES notation for N'-hydroxy-3-[naphthalen-1-ylmethyl(propan-2-yl)amino]propanimidamide?
The canonical SMILES for N'-hydroxy-3-[naphthalen-1-ylmethyl(propan-2-yl)amino]propanimidamide is CC(C)N(CCC(N)=NO)Cc1cccc2ccccc12.
What is the InChIKey of N'-hydroxy-3-[naphthalen-1-ylmethyl(propan-2-yl)amino]propanimidamide?
The InChIKey is XRLJXAYXKOPJEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-13(2)20(11-10-17(18)19-21)12-15-8-5-7-14-6-3-4-9-16(14)15/h3-9,13,21H,10-12H2,1-2H3,(H2,18,19).
What are the key properties of N'-hydroxy-3-[naphthalen-1-ylmethyl(propan-2-yl)amino]propanimidamide?
N'-hydroxy-3-[naphthalen-1-ylmethyl(propan-2-yl)amino]propanimidamide has a molecular weight of 285.39 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[naphthalen-1-ylmethyl(propan-2-yl)amino]propanimidamide is sourced from PubChem (CID 76911368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).