N'-hydroxy-2,2-dimethyl-5-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pentanimidamide

C17H27N3O — CID 77063559

IUPACN'-hydroxy-2,2-dimethyl-5-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pentanimidamide
SMILESCC(C)(CCCNC1CCCc2ccccc21)C(N)=NO
InChIInChI=1S/C17H27N3O/c1-17(2,16(18)20-21)11-6-12-19-15-10-5-8-13-7-3-4-9-14(13)15/h3-4,7,9,15,19,21H,5-6,8,10-12H2,1-2H3,(H2,18,20)
InChIKeyNAPAZURJUIQSJZ-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.21
Rot. Bonds6

About N'-hydroxy-2,2-dimethyl-5-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pentanimidamide

N'-hydroxy-2,2-dimethyl-5-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pentanimidamide (PubChem CID 77063559) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N'-hydroxy-2,2-dimethyl-5-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2,2-dimethyl-5-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pentanimidamide
PubChem CID77063559
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN'-hydroxy-2,2-dimethyl-5-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pentanimidamide
SMILESCC(C)(CCCNC1CCCc2ccccc21)C(N)=NO
InChIInChI=1S/C17H27N3O/c1-17(2,16(18)20-21)11-6-12-19-15-10-5-8-13-7-3-4-9-14(13)15/h3-4,7,9,15,19,21H,5-6,8,10-12H2,1-2H3,(H2,18,20)
InChIKeyNAPAZURJUIQSJZ-UHFFFAOYSA-N
XLogP3.21
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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'}, {'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-2,2-dimethyl-5-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pentanimidamide?
The IUPAC name of N'-hydroxy-2,2-dimethyl-5-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pentanimidamide (CID 77063559) is N'-hydroxy-2,2-dimethyl-5-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pentanimidamide.
What is the SMILES notation for N'-hydroxy-2,2-dimethyl-5-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pentanimidamide?
The canonical SMILES for N'-hydroxy-2,2-dimethyl-5-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pentanimidamide is CC(C)(CCCNC1CCCc2ccccc21)C(N)=NO.
What is the InChIKey of N'-hydroxy-2,2-dimethyl-5-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pentanimidamide?
The InChIKey is NAPAZURJUIQSJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-17(2,16(18)20-21)11-6-12-19-15-10-5-8-13-7-3-4-9-14(13)15/h3-4,7,9,15,19,21H,5-6,8,10-12H2,1-2H3,(H2,18,20).
What are the key properties of N'-hydroxy-2,2-dimethyl-5-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pentanimidamide?
N'-hydroxy-2,2-dimethyl-5-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pentanimidamide has a molecular weight of 289.42 g/mol, XLogP of 3.21, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2,2-dimethyl-5-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pentanimidamide is sourced from PubChem (CID 77063559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).