2-cyclopentyloxy-4-methylbenzenecarboximidamide

C13H18N2O — CID 62308845

IUPAC2-cyclopentyloxy-4-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(C)cc1OC1CCCC1
InChIInChI=1S/C13H18N2O/c1-9-6-7-11(13(14)15)12(8-9)16-10-4-2-3-5-10/h6-8,10H,2-5H2,1H3,(H3,14,15)
InChIKeyFDOCQPGIRGPZMV-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.60
Rot. Bonds3

About 2-cyclopentyloxy-4-methylbenzenecarboximidamide

2-cyclopentyloxy-4-methylbenzenecarboximidamide (PubChem CID 62308845) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-cyclopentyloxy-4-methylbenzenecarboximidamide.

Molecular Properties

Compound Name2-cyclopentyloxy-4-methylbenzenecarboximidamide
PubChem CID62308845
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name2-cyclopentyloxy-4-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(C)cc1OC1CCCC1
InChIInChI=1S/C13H18N2O/c1-9-6-7-11(13(14)15)12(8-9)16-10-4-2-3-5-10/h6-8,10H,2-5H2,1H3,(H3,14,15)
InChIKeyFDOCQPGIRGPZMV-UHFFFAOYSA-N
XLogP2.60
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

4-methyl-2-(oxolan-3-yloxy)benzenecarboximidamide
CID 63558047
2-(3-methoxycyclohexyl)oxy-5-methylbenzenecarboximidamide
CID 107930837
5-methyl-2-(4-methylcyclohexyl)oxybenzenecarboximidamide
CID 114017325
2-methoxy-4-methylbenzenecarboximidamide
CID 62306767
2-cyclobutyloxy-4-methylbenzoic acid
CID 62700894
4-chloro-2-(3-methylcyclohexyl)oxybenzenecarboximidamide
CID 63093879
(NE)-N-[1-(2-cyclopentyloxy-4-methylphenyl)ethylidene]hydroxylamine
CID 98566862
4-methyl-2-(4-methylphenoxy)benzenecarboximidamide
CID 62308678
4-bromo-2-(3-ethylcyclohexyl)oxybenzenecarboximidamide
CID 114904900
2-chloro-4-cycloheptyloxybenzenecarboximidamide
CID 55154723
2-(cyclopentylmethoxy)-5-methylbenzenecarboximidamide
CID 107930853
2-cyclopentyloxy-1-methoxy-4-methylbenzene;ethane
CID 142884364

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyloxy-4-methylbenzenecarboximidamide?
The IUPAC name of 2-cyclopentyloxy-4-methylbenzenecarboximidamide (CID 62308845) is 2-cyclopentyloxy-4-methylbenzenecarboximidamide.
What is the SMILES notation for 2-cyclopentyloxy-4-methylbenzenecarboximidamide?
The canonical SMILES for 2-cyclopentyloxy-4-methylbenzenecarboximidamide is [H]/N=C(\N)c1ccc(C)cc1OC1CCCC1.
What is the InChIKey of 2-cyclopentyloxy-4-methylbenzenecarboximidamide?
The InChIKey is FDOCQPGIRGPZMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-9-6-7-11(13(14)15)12(8-9)16-10-4-2-3-5-10/h6-8,10H,2-5H2,1H3,(H3,14,15).
What are the key properties of 2-cyclopentyloxy-4-methylbenzenecarboximidamide?
2-cyclopentyloxy-4-methylbenzenecarboximidamide has a molecular weight of 218.30 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyloxy-4-methylbenzenecarboximidamide is sourced from PubChem (CID 62308845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).