2-chloro-6-[cyclopropyl(propyl)amino]-N'-hydroxybenzenecarboximidamide

C13H18ClN3O — CID 55079645

IUPAC2-chloro-6-[cyclopropyl(propyl)amino]-N'-hydroxybenzenecarboximidamide
SMILESCCCN(c1cccc(Cl)c1/C(N)=N/O)C1CC1
InChIInChI=1S/C13H18ClN3O/c1-2-8-17(9-6-7-9)11-5-3-4-10(14)12(11)13(15)16-18/h3-5,9,18H,2,6-8H2,1H3,(H2,15,16)
InChIKeyUQNLLBSSNZAGNQ-UHFFFAOYSA-N
MW267.76 g/mol
LogP2.81
Rot. Bonds5

About 2-chloro-6-[cyclopropyl(propyl)amino]-N'-hydroxybenzenecarboximidamide

2-chloro-6-[cyclopropyl(propyl)amino]-N'-hydroxybenzenecarboximidamide (PubChem CID 55079645) has the molecular formula C13H18ClN3O and a molecular weight of 267.76 g/mol. Its IUPAC name is 2-chloro-6-[cyclopropyl(propyl)amino]-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name2-chloro-6-[cyclopropyl(propyl)amino]-N'-hydroxybenzenecarboximidamide
PubChem CID55079645
Molecular FormulaC13H18ClN3O
Molecular Weight267.76 g/mol
Exact Mass267.11
IUPAC Name2-chloro-6-[cyclopropyl(propyl)amino]-N'-hydroxybenzenecarboximidamide
SMILESCCCN(c1cccc(Cl)c1/C(N)=N/O)C1CC1
InChIInChI=1S/C13H18ClN3O/c1-2-8-17(9-6-7-9)11-5-3-4-10(14)12(11)13(15)16-18/h3-5,9,18H,2,6-8H2,1H3,(H2,15,16)
InChIKeyUQNLLBSSNZAGNQ-UHFFFAOYSA-N
XLogP2.81
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.81
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 2-chloro-6-[cyclopropyl(propyl)amino]-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 2-chloro-6-[cyclopropyl(propyl)amino]-N'-hydroxybenzenecarboximidamide (CID 55079645) is 2-chloro-6-[cyclopropyl(propyl)amino]-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 2-chloro-6-[cyclopropyl(propyl)amino]-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 2-chloro-6-[cyclopropyl(propyl)amino]-N'-hydroxybenzenecarboximidamide is CCCN(c1cccc(Cl)c1/C(N)=N/O)C1CC1.
What is the InChIKey of 2-chloro-6-[cyclopropyl(propyl)amino]-N'-hydroxybenzenecarboximidamide?
The InChIKey is UQNLLBSSNZAGNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O/c1-2-8-17(9-6-7-9)11-5-3-4-10(14)12(11)13(15)16-18/h3-5,9,18H,2,6-8H2,1H3,(H2,15,16).
What are the key properties of 2-chloro-6-[cyclopropyl(propyl)amino]-N'-hydroxybenzenecarboximidamide?
2-chloro-6-[cyclopropyl(propyl)amino]-N'-hydroxybenzenecarboximidamide has a molecular weight of 267.76 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[cyclopropyl(propyl)amino]-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 55079645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).