3-chloro-4-[cyclopentyl(ethyl)amino]-N'-hydroxybenzenecarboximidamide

C14H20ClN3O — CID 76984358

IUPAC3-chloro-4-[cyclopentyl(ethyl)amino]-N'-hydroxybenzenecarboximidamide
SMILESCCN(c1ccc(C(N)=NO)cc1Cl)C1CCCC1
InChIInChI=1S/C14H20ClN3O/c1-2-18(11-5-3-4-6-11)13-8-7-10(9-12(13)15)14(16)17-19/h7-9,11,19H,2-6H2,1H3,(H2,16,17)
InChIKeyPNHRHBBWSJVWDM-UHFFFAOYSA-N
MW281.79 g/mol
LogP3.20
Rot. Bonds4

About 3-chloro-4-[cyclopentyl(ethyl)amino]-N'-hydroxybenzenecarboximidamide

3-chloro-4-[cyclopentyl(ethyl)amino]-N'-hydroxybenzenecarboximidamide (PubChem CID 76984358) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is 3-chloro-4-[cyclopentyl(ethyl)amino]-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name3-chloro-4-[cyclopentyl(ethyl)amino]-N'-hydroxybenzenecarboximidamide
PubChem CID76984358
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC Name3-chloro-4-[cyclopentyl(ethyl)amino]-N'-hydroxybenzenecarboximidamide
SMILESCCN(c1ccc(C(N)=NO)cc1Cl)C1CCCC1
InChIInChI=1S/C14H20ClN3O/c1-2-18(11-5-3-4-6-11)13-8-7-10(9-12(13)15)14(16)17-19/h7-9,11,19H,2-6H2,1H3,(H2,16,17)
InChIKeyPNHRHBBWSJVWDM-UHFFFAOYSA-N
XLogP3.20
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 53.20
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 3-chloro-4-[cyclopentyl(ethyl)amino]-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 3-chloro-4-[cyclopentyl(ethyl)amino]-N'-hydroxybenzenecarboximidamide (CID 76984358) is 3-chloro-4-[cyclopentyl(ethyl)amino]-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 3-chloro-4-[cyclopentyl(ethyl)amino]-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 3-chloro-4-[cyclopentyl(ethyl)amino]-N'-hydroxybenzenecarboximidamide is CCN(c1ccc(C(N)=NO)cc1Cl)C1CCCC1.
What is the InChIKey of 3-chloro-4-[cyclopentyl(ethyl)amino]-N'-hydroxybenzenecarboximidamide?
The InChIKey is PNHRHBBWSJVWDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O/c1-2-18(11-5-3-4-6-11)13-8-7-10(9-12(13)15)14(16)17-19/h7-9,11,19H,2-6H2,1H3,(H2,16,17).
What are the key properties of 3-chloro-4-[cyclopentyl(ethyl)amino]-N'-hydroxybenzenecarboximidamide?
3-chloro-4-[cyclopentyl(ethyl)amino]-N'-hydroxybenzenecarboximidamide has a molecular weight of 281.79 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[cyclopentyl(ethyl)amino]-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 76984358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).