4-[2-[(2,3-dimethylcyclopentyl)amino]ethoxy]-N'-hydroxybenzenecarboximidamide

C16H25N3O2 — CID 77050574

IUPAC4-[2-[(2,3-dimethylcyclopentyl)amino]ethoxy]-N'-hydroxybenzenecarboximidamide
SMILESCC1CCC(NCCOc2ccc(C(N)=NO)cc2)C1C
InChIInChI=1S/C16H25N3O2/c1-11-3-8-15(12(11)2)18-9-10-21-14-6-4-13(5-7-14)16(17)19-20/h4-7,11-12,15,18,20H,3,8-10H2,1-2H3,(H2,17,19)
InChIKeyLWZRPDLRTQPCEJ-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.18
Rot. Bonds6

About 4-[2-[(2,3-dimethylcyclopentyl)amino]ethoxy]-N'-hydroxybenzenecarboximidamide

4-[2-[(2,3-dimethylcyclopentyl)amino]ethoxy]-N'-hydroxybenzenecarboximidamide (PubChem CID 77050574) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 4-[2-[(2,3-dimethylcyclopentyl)amino]ethoxy]-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name4-[2-[(2,3-dimethylcyclopentyl)amino]ethoxy]-N'-hydroxybenzenecarboximidamide
PubChem CID77050574
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name4-[2-[(2,3-dimethylcyclopentyl)amino]ethoxy]-N'-hydroxybenzenecarboximidamide
SMILESCC1CCC(NCCOc2ccc(C(N)=NO)cc2)C1C
InChIInChI=1S/C16H25N3O2/c1-11-3-8-15(12(11)2)18-9-10-21-14-6-4-13(5-7-14)16(17)19-20/h4-7,11-12,15,18,20H,3,8-10H2,1-2H3,(H2,17,19)
InChIKeyLWZRPDLRTQPCEJ-UHFFFAOYSA-N
XLogP2.18
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

4-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethoxy]-N'-hydroxybenzenecarboximidamide
CID 104967571
4-[2-[(1,1-dioxothiolan-3-yl)amino]ethoxy]-N'-hydroxybenzenecarboximidamide
CID 77026918
4-[2-[[(1R)-1-cyclopentylethyl]amino]ethoxy]-N'-hydroxybenzenecarboximidamide
CID 81389569
N'-hydroxy-4-[3-[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]propoxy]benzenecarboximidamide
CID 5480201
4-[2-(3-ethoxypropylamino)ethoxy]-N'-hydroxybenzenecarboximidamide
CID 77025986
4-butoxy-N'-hydroxybenzenecarboximidamide
CID 2255598
N'-hydroxy-4-[2-[(2-hydroxycyclopentyl)methylamino]ethoxy]benzenecarboximidamide
CID 77125155
4-[2-(2-ethoxyethylamino)ethoxy]-N'-hydroxybenzenecarboximidamide
CID 77025374
N'-hydroxy-4-[2-(3-propoxypropylamino)ethoxy]benzenecarboximidamide
CID 82941754
N'-hydroxy-4-[2-(3-methylbutylamino)ethoxy]benzenecarboximidamide
CID 77025462
4-[2-[4-(N'-hydroxycarbamimidoyl)phenoxy]ethylamino]butanamide
CID 77027995
N'-hydroxy-4-[2-(thiolan-3-ylmethylamino)ethoxy]benzenecarboximidamide
CID 107296444

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2,3-dimethylcyclopentyl)amino]ethoxy]-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 4-[2-[(2,3-dimethylcyclopentyl)amino]ethoxy]-N'-hydroxybenzenecarboximidamide (CID 77050574) is 4-[2-[(2,3-dimethylcyclopentyl)amino]ethoxy]-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 4-[2-[(2,3-dimethylcyclopentyl)amino]ethoxy]-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 4-[2-[(2,3-dimethylcyclopentyl)amino]ethoxy]-N'-hydroxybenzenecarboximidamide is CC1CCC(NCCOc2ccc(C(N)=NO)cc2)C1C.
What is the InChIKey of 4-[2-[(2,3-dimethylcyclopentyl)amino]ethoxy]-N'-hydroxybenzenecarboximidamide?
The InChIKey is LWZRPDLRTQPCEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-11-3-8-15(12(11)2)18-9-10-21-14-6-4-13(5-7-14)16(17)19-20/h4-7,11-12,15,18,20H,3,8-10H2,1-2H3,(H2,17,19).
What are the key properties of 4-[2-[(2,3-dimethylcyclopentyl)amino]ethoxy]-N'-hydroxybenzenecarboximidamide?
4-[2-[(2,3-dimethylcyclopentyl)amino]ethoxy]-N'-hydroxybenzenecarboximidamide has a molecular weight of 291.39 g/mol, XLogP of 2.18, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2,3-dimethylcyclopentyl)amino]ethoxy]-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 77050574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).