4-[2-[[(1R)-1-cyclopentylethyl]amino]ethoxy]-N'-hydroxybenzenecarboximidamide

C16H25N3O2 — CID 81389569

IUPAC4-[2-[[(1R)-1-cyclopentylethyl]amino]ethoxy]-N'-hydroxybenzenecarboximidamide
SMILESC[C@@H](NCCOc1ccc(/C(N)=N/O)cc1)C1CCCC1
InChIInChI=1S/C16H25N3O2/c1-12(13-4-2-3-5-13)18-10-11-21-15-8-6-14(7-9-15)16(17)19-20/h6-9,12-13,18,20H,2-5,10-11H2,1H3,(H2,17,19)/t12-/m1/s1
InChIKeyMBBHCMRTKVLFSH-GFCCVEGCSA-N
MW291.39 g/mol
LogP2.33
Rot. Bonds7

About 4-[2-[[(1R)-1-cyclopentylethyl]amino]ethoxy]-N'-hydroxybenzenecarboximidamide

4-[2-[[(1R)-1-cyclopentylethyl]amino]ethoxy]-N'-hydroxybenzenecarboximidamide (PubChem CID 81389569) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 4-[2-[[(1R)-1-cyclopentylethyl]amino]ethoxy]-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name4-[2-[[(1R)-1-cyclopentylethyl]amino]ethoxy]-N'-hydroxybenzenecarboximidamide
PubChem CID81389569
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name4-[2-[[(1R)-1-cyclopentylethyl]amino]ethoxy]-N'-hydroxybenzenecarboximidamide
SMILESC[C@@H](NCCOc1ccc(/C(N)=N/O)cc1)C1CCCC1
InChIInChI=1S/C16H25N3O2/c1-12(13-4-2-3-5-13)18-10-11-21-15-8-6-14(7-9-15)16(17)19-20/h6-9,12-13,18,20H,2-5,10-11H2,1H3,(H2,17,19)/t12-/m1/s1
InChIKeyMBBHCMRTKVLFSH-GFCCVEGCSA-N
XLogP2.33
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.33
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

(1R)-1-cyclopentyl-N-(2-phenoxyethyl)ethanamine
CID 81393795
N'-hydroxy-4-[2-(1-hydroxybutan-2-ylamino)ethoxy]benzenecarboximidamide
CID 77028997
1-cyclopropyl-N-[2-(4-ethoxyphenoxy)ethyl]ethanamine
CID 55024132
N'-hydroxy-4-[2-(3-methylbutylamino)ethoxy]benzenecarboximidamide
CID 77025462
N-(1-cyclopentylethyl)-2-[4-(N'-hydroxycarbamimidoyl)phenyl]acetamide
CID 77020413
N-(1-cyclohexylethyl)-3-phenoxypropan-1-amine
CID 62381130
4-[2-[[(1R)-1-(furan-2-yl)ethyl]amino]ethoxy]-N'-hydroxybenzenecarboximidamide
CID 81392882
4-[2-[cyclopentyl(methyl)amino]ethoxy]-N'-hydroxybenzenecarboximidamide
CID 61299834
N'-hydroxy-4-[2-[(2-hydroxycyclopentyl)methylamino]ethoxy]benzenecarboximidamide
CID 77125155
2-[2-[4-(N'-hydroxycarbamimidoyl)phenoxy]ethylamino]-N-propan-2-ylacetamide
CID 77030062
4-[[[(1S)-1-cyclopentylethyl]amino]methyl]-N'-hydroxy-3-methylbenzenecarboximidamide
CID 104930170
4-[2-[(2,3-dimethylcyclopentyl)amino]ethoxy]-N'-hydroxybenzenecarboximidamide
CID 77050574

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[(1R)-1-cyclopentylethyl]amino]ethoxy]-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 4-[2-[[(1R)-1-cyclopentylethyl]amino]ethoxy]-N'-hydroxybenzenecarboximidamide (CID 81389569) is 4-[2-[[(1R)-1-cyclopentylethyl]amino]ethoxy]-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 4-[2-[[(1R)-1-cyclopentylethyl]amino]ethoxy]-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 4-[2-[[(1R)-1-cyclopentylethyl]amino]ethoxy]-N'-hydroxybenzenecarboximidamide is C[C@@H](NCCOc1ccc(/C(N)=N/O)cc1)C1CCCC1.
What is the InChIKey of 4-[2-[[(1R)-1-cyclopentylethyl]amino]ethoxy]-N'-hydroxybenzenecarboximidamide?
The InChIKey is MBBHCMRTKVLFSH-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-12(13-4-2-3-5-13)18-10-11-21-15-8-6-14(7-9-15)16(17)19-20/h6-9,12-13,18,20H,2-5,10-11H2,1H3,(H2,17,19)/t12-/m1/s1.
What are the key properties of 4-[2-[[(1R)-1-cyclopentylethyl]amino]ethoxy]-N'-hydroxybenzenecarboximidamide?
4-[2-[[(1R)-1-cyclopentylethyl]amino]ethoxy]-N'-hydroxybenzenecarboximidamide has a molecular weight of 291.39 g/mol, XLogP of 2.33, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[(1R)-1-cyclopentylethyl]amino]ethoxy]-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 81389569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).