2-[cycloheptyl(methyl)amino]-N'-hydroxybenzenecarboximidamide

C15H23N3O — CID 43614103

IUPAC2-[cycloheptyl(methyl)amino]-N'-hydroxybenzenecarboximidamide
SMILESCN(c1ccccc1/C(N)=N/O)C1CCCCCC1
InChIInChI=1S/C15H23N3O/c1-18(12-8-4-2-3-5-9-12)14-11-7-6-10-13(14)15(16)17-19/h6-7,10-12,19H,2-5,8-9H2,1H3,(H2,16,17)
InChIKeySMXDCIMBQPIZSY-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.94
Rot. Bonds3

About 2-[cycloheptyl(methyl)amino]-N'-hydroxybenzenecarboximidamide

2-[cycloheptyl(methyl)amino]-N'-hydroxybenzenecarboximidamide (PubChem CID 43614103) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-[cycloheptyl(methyl)amino]-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name2-[cycloheptyl(methyl)amino]-N'-hydroxybenzenecarboximidamide
PubChem CID43614103
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name2-[cycloheptyl(methyl)amino]-N'-hydroxybenzenecarboximidamide
SMILESCN(c1ccccc1/C(N)=N/O)C1CCCCCC1
InChIInChI=1S/C15H23N3O/c1-18(12-8-4-2-3-5-9-12)14-11-7-6-10-13(14)15(16)17-19/h6-7,10-12,19H,2-5,8-9H2,1H3,(H2,16,17)
InChIKeySMXDCIMBQPIZSY-UHFFFAOYSA-N
XLogP2.94
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.94
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-[cyclohexyl(ethyl)amino]-N'-hydroxybenzenecarboximidamide
CID 53408930
2-[cyclohexyl(methyl)amino]-N'-hydroxy-4-methylbenzenecarboximidamide
CID 76938790
2-[cycloheptyl(methyl)amino]-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 77004469
2-[cyclohexyl(methyl)amino]-N'-hydroxy-3-methylbenzenecarboximidamide
CID 107109104
2-[cyclopentyl(methyl)amino]benzenecarboximidamide
CID 43267235
1-[2-[cyclohexyl(methyl)amino]phenyl]ethanone
CID 43176964
N'-hydroxy-2-[methyl-(2-methyloxolan-3-yl)amino]benzenecarboximidamide
CID 82739305
N-cyclohexyl-2-[cyclopropyl(methyl)amino]-N-methylbenzamide
CID 174458205
5-bromo-2-[cyclopropyl(methyl)amino]-N'-hydroxybenzenecarboximidamide
CID 114892387
2-chloro-4-[cyclopentyl(methyl)amino]-N'-hydroxybenzenecarboximidamide
CID 55154718
2-N-cyclopentyl-2-N-methylbenzene-1,2-diamine
CID 43266943
2-[cyclopropylmethyl(propan-2-yl)amino]-N'-hydroxybenzenecarboximidamide
CID 54999576

Frequently Asked Questions

What is the IUPAC name of 2-[cycloheptyl(methyl)amino]-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 2-[cycloheptyl(methyl)amino]-N'-hydroxybenzenecarboximidamide (CID 43614103) is 2-[cycloheptyl(methyl)amino]-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 2-[cycloheptyl(methyl)amino]-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 2-[cycloheptyl(methyl)amino]-N'-hydroxybenzenecarboximidamide is CN(c1ccccc1/C(N)=N/O)C1CCCCCC1.
What is the InChIKey of 2-[cycloheptyl(methyl)amino]-N'-hydroxybenzenecarboximidamide?
The InChIKey is SMXDCIMBQPIZSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-18(12-8-4-2-3-5-9-12)14-11-7-6-10-13(14)15(16)17-19/h6-7,10-12,19H,2-5,8-9H2,1H3,(H2,16,17).
What are the key properties of 2-[cycloheptyl(methyl)amino]-N'-hydroxybenzenecarboximidamide?
2-[cycloheptyl(methyl)amino]-N'-hydroxybenzenecarboximidamide has a molecular weight of 261.37 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cycloheptyl(methyl)amino]-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 43614103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).