N'-hydroxy-5-(3-methylanilino)pentanimidamide

C12H19N3O — CID 77025899

IUPACN'-hydroxy-5-(3-methylanilino)pentanimidamide
SMILESCc1cccc(NCCCCC(N)=NO)c1
InChIInChI=1S/C12H19N3O/c1-10-5-4-6-11(9-10)14-8-3-2-7-12(13)15-16/h4-6,9,14,16H,2-3,7-8H2,1H3,(H2,13,15)
InChIKeySKTTTYQQJMNORH-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.32
Rot. Bonds6

About N'-hydroxy-5-(3-methylanilino)pentanimidamide

N'-hydroxy-5-(3-methylanilino)pentanimidamide (PubChem CID 77025899) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is N'-hydroxy-5-(3-methylanilino)pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-5-(3-methylanilino)pentanimidamide
PubChem CID77025899
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC NameN'-hydroxy-5-(3-methylanilino)pentanimidamide
SMILESCc1cccc(NCCCCC(N)=NO)c1
InChIInChI=1S/C12H19N3O/c1-10-5-4-6-11(9-10)14-8-3-2-7-12(13)15-16/h4-6,9,14,16H,2-3,7-8H2,1H3,(H2,13,15)
InChIKeySKTTTYQQJMNORH-UHFFFAOYSA-N
XLogP2.32
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.32
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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Related Compounds

N'-hydroxy-4-(4-methylanilino)butanimidamide
CID 77025485
5-(3,4-dichloroanilino)-N'-hydroxypentanimidamide
CID 77026091
4-(3-bromo-5-methylanilino)-N'-hydroxybutanimidamide
CID 107584120
4-[(5-amino-5-hydroxyiminopentyl)amino]benzamide
CID 77025709
N'-hydroxy-4-[(3-methylphenyl)methylamino]butanimidamide
CID 77030080
5-(3,5-dichloroanilino)-N'-hydroxypentanimidamide
CID 77025830
5-[4-(dimethylamino)anilino]-N'-hydroxypentanimidamide
CID 77029852
4-(2,6-dibromo-4-methylanilino)-N'-hydroxybutanimidamide
CID 77028778
N-[2-[3-(3-methylanilino)propylamino]ethyl]-N'-(3-methylphenyl)propane-1,3-diamine
CID 56650104
3-methyl-N-(4-methylsulfanylbutyl)aniline
CID 103087126
6-(3-methylanilino)hexan-3-one
CID 10798292
5-(5-bromo-2-fluoroanilino)-N'-hydroxypentanimidamide
CID 77027557

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-5-(3-methylanilino)pentanimidamide?
The IUPAC name of N'-hydroxy-5-(3-methylanilino)pentanimidamide (CID 77025899) is N'-hydroxy-5-(3-methylanilino)pentanimidamide.
What is the SMILES notation for N'-hydroxy-5-(3-methylanilino)pentanimidamide?
The canonical SMILES for N'-hydroxy-5-(3-methylanilino)pentanimidamide is Cc1cccc(NCCCCC(N)=NO)c1.
What is the InChIKey of N'-hydroxy-5-(3-methylanilino)pentanimidamide?
The InChIKey is SKTTTYQQJMNORH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-10-5-4-6-11(9-10)14-8-3-2-7-12(13)15-16/h4-6,9,14,16H,2-3,7-8H2,1H3,(H2,13,15).
What are the key properties of N'-hydroxy-5-(3-methylanilino)pentanimidamide?
N'-hydroxy-5-(3-methylanilino)pentanimidamide has a molecular weight of 221.30 g/mol, XLogP of 2.32, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-5-(3-methylanilino)pentanimidamide is sourced from PubChem (CID 77025899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).