N'-[2-(3,4-dimethoxyphenyl)ethyl]cyclopentanecarboximidamide

C16H24N2O2 — CID 63173820

IUPACN'-[2-(3,4-dimethoxyphenyl)ethyl]cyclopentanecarboximidamide
SMILESCOc1ccc(CC/N=C(\N)C2CCCC2)cc1OC
InChIInChI=1S/C16H24N2O2/c1-19-14-8-7-12(11-15(14)20-2)9-10-18-16(17)13-5-3-4-6-13/h7-8,11,13H,3-6,9-10H2,1-2H3,(H2,17,18)
InChIKeyATVOYKDZUSSFGQ-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.79
Rot. Bonds6

About N'-[2-(3,4-dimethoxyphenyl)ethyl]cyclopentanecarboximidamide

N'-[2-(3,4-dimethoxyphenyl)ethyl]cyclopentanecarboximidamide (PubChem CID 63173820) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N'-[2-(3,4-dimethoxyphenyl)ethyl]cyclopentanecarboximidamide.

Molecular Properties

Compound NameN'-[2-(3,4-dimethoxyphenyl)ethyl]cyclopentanecarboximidamide
PubChem CID63173820
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN'-[2-(3,4-dimethoxyphenyl)ethyl]cyclopentanecarboximidamide
SMILESCOc1ccc(CC/N=C(\N)C2CCCC2)cc1OC
InChIInChI=1S/C16H24N2O2/c1-19-14-8-7-12(11-15(14)20-2)9-10-18-16(17)13-5-3-4-6-13/h7-8,11,13H,3-6,9-10H2,1-2H3,(H2,17,18)
InChIKeyATVOYKDZUSSFGQ-UHFFFAOYSA-N
XLogP2.79
TPSA56.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]propan-2-imine
CID 10857049
1-(diaminomethylidene)-2-[2-(3,4-dimethoxyphenyl)ethyl]guanidine;hydrochloride
CID 11358539
N'-[2-(2-methoxyphenyl)ethyl]cyclopropanecarboximidamide
CID 106262569
2-[2-(3-bromo-4-methoxyphenyl)ethyl]guanidine
CID 59851874
N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-ethyl-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboximidamide;hydroiodide
CID 109443748
1-cyclohexyl-2-(3,4-dimethoxyphenyl)ethanone
CID 60863000
1-tert-butyl-2-[2-(3,4-dimethoxyphenyl)ethyl]guanidine;hydroiodide
CID 110912009
N'-[3-(3,4-dimethoxyphenyl)propyl]-4-methylpiperidine-1-carboximidamide
CID 110921085
ethyl 1-[N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-ethylcarbamimidoyl]piperidine-3-carboxylate
CID 110994047
2-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]guanidine
CID 110928047
benzyl N'-[2-(3,4-dimethoxyphenyl)ethyl]carbamimidothioate
CID 8773671
(2R)-N'-[2-(3,4-dimethoxyphenyl)ethyl]-2-phenylpropanimidamide
CID 6341030

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3,4-dimethoxyphenyl)ethyl]cyclopentanecarboximidamide?
The IUPAC name of N'-[2-(3,4-dimethoxyphenyl)ethyl]cyclopentanecarboximidamide (CID 63173820) is N'-[2-(3,4-dimethoxyphenyl)ethyl]cyclopentanecarboximidamide.
What is the SMILES notation for N'-[2-(3,4-dimethoxyphenyl)ethyl]cyclopentanecarboximidamide?
The canonical SMILES for N'-[2-(3,4-dimethoxyphenyl)ethyl]cyclopentanecarboximidamide is COc1ccc(CC/N=C(\N)C2CCCC2)cc1OC.
What is the InChIKey of N'-[2-(3,4-dimethoxyphenyl)ethyl]cyclopentanecarboximidamide?
The InChIKey is ATVOYKDZUSSFGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-19-14-8-7-12(11-15(14)20-2)9-10-18-16(17)13-5-3-4-6-13/h7-8,11,13H,3-6,9-10H2,1-2H3,(H2,17,18).
What are the key properties of N'-[2-(3,4-dimethoxyphenyl)ethyl]cyclopentanecarboximidamide?
N'-[2-(3,4-dimethoxyphenyl)ethyl]cyclopentanecarboximidamide has a molecular weight of 276.38 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3,4-dimethoxyphenyl)ethyl]cyclopentanecarboximidamide is sourced from PubChem (CID 63173820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).