2-[cyclopentyl-[(4-fluoro-2-methylphenyl)methyl]amino]-N'-hydroxyethanimidamide

C15H22FN3O — CID 114346073

IUPAC2-[cyclopentyl-[(4-fluoro-2-methylphenyl)methyl]amino]-N'-hydroxyethanimidamide
SMILESCc1cc(F)ccc1CN(C/C(N)=N/O)C1CCCC1
InChIInChI=1S/C15H22FN3O/c1-11-8-13(16)7-6-12(11)9-19(10-15(17)18-20)14-4-2-3-5-14/h6-8,14,20H,2-5,9-10H2,1H3,(H2,17,18)
InChIKeyGPSQAMXNLCCFJP-UHFFFAOYSA-N
MW279.36 g/mol
LogP2.63
Rot. Bonds5

About 2-[cyclopentyl-[(4-fluoro-2-methylphenyl)methyl]amino]-N'-hydroxyethanimidamide

2-[cyclopentyl-[(4-fluoro-2-methylphenyl)methyl]amino]-N'-hydroxyethanimidamide (PubChem CID 114346073) has the molecular formula C15H22FN3O and a molecular weight of 279.36 g/mol. Its IUPAC name is 2-[cyclopentyl-[(4-fluoro-2-methylphenyl)methyl]amino]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[cyclopentyl-[(4-fluoro-2-methylphenyl)methyl]amino]-N'-hydroxyethanimidamide
PubChem CID114346073
Molecular FormulaC15H22FN3O
Molecular Weight279.36 g/mol
Exact Mass279.17
IUPAC Name2-[cyclopentyl-[(4-fluoro-2-methylphenyl)methyl]amino]-N'-hydroxyethanimidamide
SMILESCc1cc(F)ccc1CN(C/C(N)=N/O)C1CCCC1
InChIInChI=1S/C15H22FN3O/c1-11-8-13(16)7-6-12(11)9-19(10-15(17)18-20)14-4-2-3-5-14/h6-8,14,20H,2-5,9-10H2,1H3,(H2,17,18)
InChIKeyGPSQAMXNLCCFJP-UHFFFAOYSA-N
XLogP2.63
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 52.63
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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Related Compounds

2-[cyclopentyl-[(2,5-difluorophenyl)methyl]amino]-N'-hydroxyethanimidamide
CID 78995782
3-[cyclopropyl-[(2,4-difluorophenyl)methyl]amino]-N'-hydroxypropanimidamide
CID 76936916
2-(4-fluoro-2-methylphenyl)-N'-hydroxyethanimidamide
CID 114345876
2-[[4-(aminomethyl)-2-methylphenyl]methyl-cyclopentylamino]acetamide
CID 114478704
3-[(2-chloro-4-fluorophenyl)methyl-cyclopropylamino]-N'-hydroxypropanimidamide
CID 54997772
2-[cyclopentyl-[(4-propan-2-ylphenyl)methyl]amino]-N'-hydroxyethanimidamide
CID 77044796
2-[(3-bromophenyl)methyl-cyclopentylamino]-N'-hydroxyethanimidamide
CID 77044474
2-[1-benzothiophen-3-ylmethyl(cyclopentyl)amino]-N'-hydroxyethanimidamide
CID 77044794
4-[[cyclopentyl(methyl)amino]methyl]-N'-hydroxy-3-methylbenzenecarboximidamide
CID 114482466
4-[[cyclopropyl(propyl)amino]methyl]-N'-hydroxy-3-methylbenzenecarboximidamide
CID 114482469
2-[(3-bromo-4-methoxyphenyl)methyl-cyclopentylamino]-N'-hydroxyethanimidamide
CID 77044469
2-[(1,1-dioxothiolan-3-yl)-[(4-fluoro-2-methylphenyl)methyl]amino]acetic acid
CID 65059301

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl-[(4-fluoro-2-methylphenyl)methyl]amino]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[cyclopentyl-[(4-fluoro-2-methylphenyl)methyl]amino]-N'-hydroxyethanimidamide (CID 114346073) is 2-[cyclopentyl-[(4-fluoro-2-methylphenyl)methyl]amino]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[cyclopentyl-[(4-fluoro-2-methylphenyl)methyl]amino]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[cyclopentyl-[(4-fluoro-2-methylphenyl)methyl]amino]-N'-hydroxyethanimidamide is Cc1cc(F)ccc1CN(C/C(N)=N/O)C1CCCC1.
What is the InChIKey of 2-[cyclopentyl-[(4-fluoro-2-methylphenyl)methyl]amino]-N'-hydroxyethanimidamide?
The InChIKey is GPSQAMXNLCCFJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O/c1-11-8-13(16)7-6-12(11)9-19(10-15(17)18-20)14-4-2-3-5-14/h6-8,14,20H,2-5,9-10H2,1H3,(H2,17,18).
What are the key properties of 2-[cyclopentyl-[(4-fluoro-2-methylphenyl)methyl]amino]-N'-hydroxyethanimidamide?
2-[cyclopentyl-[(4-fluoro-2-methylphenyl)methyl]amino]-N'-hydroxyethanimidamide has a molecular weight of 279.36 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl-[(4-fluoro-2-methylphenyl)methyl]amino]-N'-hydroxyethanimidamide is sourced from PubChem (CID 114346073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).