3-[1-(3-chlorophenyl)ethyl-methylamino]-N'-hydroxypentanimidamide

C14H22ClN3O — CID 55140663

IUPAC3-[1-(3-chlorophenyl)ethyl-methylamino]-N'-hydroxypentanimidamide
SMILESCCC(C/C(N)=N/O)N(C)C(C)c1cccc(Cl)c1
InChIInChI=1S/C14H22ClN3O/c1-4-13(9-14(16)17-19)18(3)10(2)11-6-5-7-12(15)8-11/h5-8,10,13,19H,4,9H2,1-3H3,(H2,16,17)
InChIKeyWKQJMJWWMPGVSD-UHFFFAOYSA-N
MW283.80 g/mol
LogP3.25
Rot. Bonds6

About 3-[1-(3-chlorophenyl)ethyl-methylamino]-N'-hydroxypentanimidamide

3-[1-(3-chlorophenyl)ethyl-methylamino]-N'-hydroxypentanimidamide (PubChem CID 55140663) has the molecular formula C14H22ClN3O and a molecular weight of 283.80 g/mol. Its IUPAC name is 3-[1-(3-chlorophenyl)ethyl-methylamino]-N'-hydroxypentanimidamide.

Molecular Properties

Compound Name3-[1-(3-chlorophenyl)ethyl-methylamino]-N'-hydroxypentanimidamide
PubChem CID55140663
Molecular FormulaC14H22ClN3O
Molecular Weight283.80 g/mol
Exact Mass283.15
IUPAC Name3-[1-(3-chlorophenyl)ethyl-methylamino]-N'-hydroxypentanimidamide
SMILESCCC(C/C(N)=N/O)N(C)C(C)c1cccc(Cl)c1
InChIInChI=1S/C14H22ClN3O/c1-4-13(9-14(16)17-19)18(3)10(2)11-6-5-7-12(15)8-11/h5-8,10,13,19H,4,9H2,1-3H3,(H2,16,17)
InChIKeyWKQJMJWWMPGVSD-UHFFFAOYSA-N
XLogP3.25
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 53.25
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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Related Compounds

3-[1-(3-chlorophenyl)ethyl-methylamino]-N'-hydroxypropanimidamide
CID 76979743
2-N-[1-(3-chlorophenyl)ethyl]-2-N-methyl-1-N-(2-methylpropyl)butane-1,2-diamine
CID 63492270
N-[1-(3-chlorophenyl)ethyl]-2-(N'-hydroxycarbamimidoyl)-N-methylbutanamide
CID 76979761
N'-hydroxy-3-[methyl(pentan-3-yl)amino]-3-phenylpropanimidamide
CID 76949064
ethyl 2-[1-(3-chlorophenyl)ethyl-methylamino]-2-oxoacetate
CID 62979257
ethyl 2-[1-(3-chlorophenyl)ethyl-methylamino]propanoate
CID 62979536
2-N-[1-(3-chlorophenyl)ethyl]-3-methoxy-2-N-methylpropane-1,2-diamine
CID 103226414
2-N-[1-(3-chlorophenyl)ethyl]-2-N-methyl-1-N-(2-methylpropyl)pentane-1,2-diamine
CID 83039474
4-amino-3-[1-(3-chlorophenyl)ethyl-methylamino]-N-propylbutanamide
CID 66428887
1-[1-(3-chlorophenyl)ethyl]-1-methylthiourea
CID 62979523
2-N-[1-(3-chlorophenyl)ethyl]-2-N-methyl-3-phenylpropane-1,2-diamine
CID 62979844
3-[(3-chlorophenyl)methylamino]-N'-hydroxypentanimidamide
CID 77027177

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-chlorophenyl)ethyl-methylamino]-N'-hydroxypentanimidamide?
The IUPAC name of 3-[1-(3-chlorophenyl)ethyl-methylamino]-N'-hydroxypentanimidamide (CID 55140663) is 3-[1-(3-chlorophenyl)ethyl-methylamino]-N'-hydroxypentanimidamide.
What is the SMILES notation for 3-[1-(3-chlorophenyl)ethyl-methylamino]-N'-hydroxypentanimidamide?
The canonical SMILES for 3-[1-(3-chlorophenyl)ethyl-methylamino]-N'-hydroxypentanimidamide is CCC(C/C(N)=N/O)N(C)C(C)c1cccc(Cl)c1.
What is the InChIKey of 3-[1-(3-chlorophenyl)ethyl-methylamino]-N'-hydroxypentanimidamide?
The InChIKey is WKQJMJWWMPGVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O/c1-4-13(9-14(16)17-19)18(3)10(2)11-6-5-7-12(15)8-11/h5-8,10,13,19H,4,9H2,1-3H3,(H2,16,17).
What are the key properties of 3-[1-(3-chlorophenyl)ethyl-methylamino]-N'-hydroxypentanimidamide?
3-[1-(3-chlorophenyl)ethyl-methylamino]-N'-hydroxypentanimidamide has a molecular weight of 283.80 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-chlorophenyl)ethyl-methylamino]-N'-hydroxypentanimidamide is sourced from PubChem (CID 55140663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).