4-[(cyclopentylamino)methyl]-N'-hydroxy-3-methylbenzenecarboximidamide

C14H21N3O — CID 114482642

IUPAC4-[(cyclopentylamino)methyl]-N'-hydroxy-3-methylbenzenecarboximidamide
SMILESCc1cc(/C(N)=N/O)ccc1CNC1CCCC1
InChIInChI=1S/C14H21N3O/c1-10-8-11(14(15)17-18)6-7-12(10)9-16-13-4-2-3-5-13/h6-8,13,16,18H,2-5,9H2,1H3,(H2,15,17)
InChIKeyHDFWZHBHJDFPMX-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.12
Rot. Bonds4

About 4-[(cyclopentylamino)methyl]-N'-hydroxy-3-methylbenzenecarboximidamide

4-[(cyclopentylamino)methyl]-N'-hydroxy-3-methylbenzenecarboximidamide (PubChem CID 114482642) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 4-[(cyclopentylamino)methyl]-N'-hydroxy-3-methylbenzenecarboximidamide.

Molecular Properties

Compound Name4-[(cyclopentylamino)methyl]-N'-hydroxy-3-methylbenzenecarboximidamide
PubChem CID114482642
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name4-[(cyclopentylamino)methyl]-N'-hydroxy-3-methylbenzenecarboximidamide
SMILESCc1cc(/C(N)=N/O)ccc1CNC1CCCC1
InChIInChI=1S/C14H21N3O/c1-10-8-11(14(15)17-18)6-7-12(10)9-16-13-4-2-3-5-13/h6-8,13,16,18H,2-5,9H2,1H3,(H2,15,17)
InChIKeyHDFWZHBHJDFPMX-UHFFFAOYSA-N
XLogP2.12
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.12
H-Bond Donors ≤ 53
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

4-[[[(1S)-1-cyclopentylethyl]amino]methyl]-N'-hydroxy-3-methylbenzenecarboximidamide
CID 104930170
4-[[(2,2-dimethylcyclohexyl)amino]methyl]-N'-hydroxy-3-methylbenzenecarboximidamide
CID 114482995
4-[[[(1R)-1-cyclohexylethyl]amino]methyl]-N'-hydroxy-3-methylbenzenecarboximidamide
CID 104930169
N'-hydroxy-3-methyl-4-[(2-methylazepan-1-yl)methyl]benzenecarboximidamide
CID 114482620
4-[[cyclopentyl(methyl)amino]methyl]-N'-hydroxy-3-methylbenzenecarboximidamide
CID 114482466
4-[(cyclooctylamino)methyl]-N'-hydroxybenzenecarboximidamide
CID 77025574
N'-hydroxy-4-[[(3-hydroxycyclohexyl)methylamino]methyl]-3-methylbenzenecarboximidamide
CID 106136351
4-(anilinomethyl)-N'-hydroxy-3-methylbenzenecarboximidamide
CID 114482639
N'-hydroxy-3-methyl-4-[(2-methylcyclohexyl)oxymethyl]benzenecarboximidamide
CID 114483225
N'-hydroxy-4-[(1-hydroxypropan-2-ylamino)methyl]-3-methylbenzenecarboximidamide
CID 114482743
N'-hydroxy-3-methyl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)benzenecarboximidamide
CID 114482975
4-[(3,4-dichloroanilino)methyl]-N'-hydroxy-3-methylbenzenecarboximidamide
CID 114482665

Frequently Asked Questions

What is the IUPAC name of 4-[(cyclopentylamino)methyl]-N'-hydroxy-3-methylbenzenecarboximidamide?
The IUPAC name of 4-[(cyclopentylamino)methyl]-N'-hydroxy-3-methylbenzenecarboximidamide (CID 114482642) is 4-[(cyclopentylamino)methyl]-N'-hydroxy-3-methylbenzenecarboximidamide.
What is the SMILES notation for 4-[(cyclopentylamino)methyl]-N'-hydroxy-3-methylbenzenecarboximidamide?
The canonical SMILES for 4-[(cyclopentylamino)methyl]-N'-hydroxy-3-methylbenzenecarboximidamide is Cc1cc(/C(N)=N/O)ccc1CNC1CCCC1.
What is the InChIKey of 4-[(cyclopentylamino)methyl]-N'-hydroxy-3-methylbenzenecarboximidamide?
The InChIKey is HDFWZHBHJDFPMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-10-8-11(14(15)17-18)6-7-12(10)9-16-13-4-2-3-5-13/h6-8,13,16,18H,2-5,9H2,1H3,(H2,15,17).
What are the key properties of 4-[(cyclopentylamino)methyl]-N'-hydroxy-3-methylbenzenecarboximidamide?
4-[(cyclopentylamino)methyl]-N'-hydroxy-3-methylbenzenecarboximidamide has a molecular weight of 247.34 g/mol, XLogP of 2.12, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(cyclopentylamino)methyl]-N'-hydroxy-3-methylbenzenecarboximidamide is sourced from PubChem (CID 114482642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).