5-[(3-chlorophenyl)methylamino]-N'-hydroxypentanimidamide

C12H18ClN3O — CID 77030098

IUPAC5-[(3-chlorophenyl)methylamino]-N'-hydroxypentanimidamide
SMILESNC(CCCCNCc1cccc(Cl)c1)=NO
InChIInChI=1S/C12H18ClN3O/c13-11-5-3-4-10(8-11)9-15-7-2-1-6-12(14)16-17/h3-5,8,15,17H,1-2,6-7,9H2,(H2,14,16)
InChIKeyMNGYVNVJSNKIDH-UHFFFAOYSA-N
MW255.75 g/mol
LogP2.35
Rot. Bonds7

About 5-[(3-chlorophenyl)methylamino]-N'-hydroxypentanimidamide

5-[(3-chlorophenyl)methylamino]-N'-hydroxypentanimidamide (PubChem CID 77030098) has the molecular formula C12H18ClN3O and a molecular weight of 255.75 g/mol. Its IUPAC name is 5-[(3-chlorophenyl)methylamino]-N'-hydroxypentanimidamide.

Molecular Properties

Compound Name5-[(3-chlorophenyl)methylamino]-N'-hydroxypentanimidamide
PubChem CID77030098
Molecular FormulaC12H18ClN3O
Molecular Weight255.75 g/mol
Exact Mass255.11
IUPAC Name5-[(3-chlorophenyl)methylamino]-N'-hydroxypentanimidamide
SMILESNC(CCCCNCc1cccc(Cl)c1)=NO
InChIInChI=1S/C12H18ClN3O/c13-11-5-3-4-10(8-11)9-15-7-2-1-6-12(14)16-17/h3-5,8,15,17H,1-2,6-7,9H2,(H2,14,16)
InChIKeyMNGYVNVJSNKIDH-UHFFFAOYSA-N
XLogP2.35
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 52.35
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-[(3-methylphenyl)methylamino]butanimidamide
CID 77030080
6-[(3-chlorophenyl)methylamino]-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106711118
3-[(3-fluorophenyl)methylamino]-N'-hydroxypropanimidamide
CID 77029790
N'-hydroxy-5-(thiophen-3-ylmethylamino)pentanimidamide
CID 77031240
2-(3-chlorophenyl)-N'-hydroxyethanimidamide
CID 16775239
N-[(3-chlorophenyl)methyl]-2-fluoroethanamine
CID 80694369
4-[2-(4-chlorophenyl)ethylamino]-N'-hydroxybutanimidamide
CID 77032070
5-(3,5-dichloroanilino)-N'-hydroxypentanimidamide
CID 77025830
2-[(3-chlorophenyl)methylamino]ethanesulfonic acid
CID 18439273
N-[(3-chlorophenyl)methyl]-4-ethoxybutan-1-amine
CID 115584497
N-[(3-chlorophenyl)methyl]-N',N'-diethylpropane-1,3-diamine
CID 4712070
2-[[(3-chlorophenyl)methylamino]methyl]-N'-hydroxybenzenecarboximidamide
CID 77030304

Frequently Asked Questions

What is the IUPAC name of 5-[(3-chlorophenyl)methylamino]-N'-hydroxypentanimidamide?
The IUPAC name of 5-[(3-chlorophenyl)methylamino]-N'-hydroxypentanimidamide (CID 77030098) is 5-[(3-chlorophenyl)methylamino]-N'-hydroxypentanimidamide.
What is the SMILES notation for 5-[(3-chlorophenyl)methylamino]-N'-hydroxypentanimidamide?
The canonical SMILES for 5-[(3-chlorophenyl)methylamino]-N'-hydroxypentanimidamide is NC(CCCCNCc1cccc(Cl)c1)=NO.
What is the InChIKey of 5-[(3-chlorophenyl)methylamino]-N'-hydroxypentanimidamide?
The InChIKey is MNGYVNVJSNKIDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O/c13-11-5-3-4-10(8-11)9-15-7-2-1-6-12(14)16-17/h3-5,8,15,17H,1-2,6-7,9H2,(H2,14,16).
What are the key properties of 5-[(3-chlorophenyl)methylamino]-N'-hydroxypentanimidamide?
5-[(3-chlorophenyl)methylamino]-N'-hydroxypentanimidamide has a molecular weight of 255.75 g/mol, XLogP of 2.35, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-chlorophenyl)methylamino]-N'-hydroxypentanimidamide is sourced from PubChem (CID 77030098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).