2-(cyclopentylmethoxy)-5-methylbenzenecarboximidamide

C14H20N2O — CID 107930853

IUPAC2-(cyclopentylmethoxy)-5-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(C)ccc1OCC1CCCC1
InChIInChI=1S/C14H20N2O/c1-10-6-7-13(12(8-10)14(15)16)17-9-11-4-2-3-5-11/h6-8,11H,2-5,9H2,1H3,(H3,15,16)
InChIKeyRCBPQCUTGRXUBQ-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.85
Rot. Bonds4

About 2-(cyclopentylmethoxy)-5-methylbenzenecarboximidamide

2-(cyclopentylmethoxy)-5-methylbenzenecarboximidamide (PubChem CID 107930853) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 2-(cyclopentylmethoxy)-5-methylbenzenecarboximidamide.

Molecular Properties

Compound Name2-(cyclopentylmethoxy)-5-methylbenzenecarboximidamide
PubChem CID107930853
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name2-(cyclopentylmethoxy)-5-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(C)ccc1OCC1CCCC1
InChIInChI=1S/C14H20N2O/c1-10-6-7-13(12(8-10)14(15)16)17-9-11-4-2-3-5-11/h6-8,11H,2-5,9H2,1H3,(H3,15,16)
InChIKeyRCBPQCUTGRXUBQ-UHFFFAOYSA-N
XLogP2.85
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.85
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

2-(cyclohexylmethoxy)-5-methylbenzenecarbothioamide
CID 107929587
5-methyl-2-[(1-methylpiperidin-2-yl)methoxy]benzenecarboximidamide
CID 107930849
2-(cyclopentylmethoxy)-5-(trifluoromethyl)benzenecarboximidamide
CID 66323058
4-(cyclohexylmethoxy)-3-fluorobenzenecarboximidamide
CID 62383562
5-methyl-2-(4-methylcyclohexyl)oxybenzenecarboximidamide
CID 114017325
5-methyl-2-octoxybenzenecarboximidamide
CID 107930759
2-cyclopentyloxy-4-methylbenzenecarboximidamide
CID 62308845
5-methyl-2-(oxan-4-ylmethoxy)benzenecarbothioamide
CID 107929588
[2-(cyclopentylmethoxy)-5-methylphenyl]methanol
CID 63325672
2-[(4-bromophenyl)methoxy]-5-methylbenzenecarboximidamide
CID 107930870
2-(3-methoxycyclohexyl)oxy-5-methylbenzenecarboximidamide
CID 107930837
2-(oxan-4-ylmethoxy)-5-(trifluoromethyl)benzenecarboximidamide
CID 62381527

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylmethoxy)-5-methylbenzenecarboximidamide?
The IUPAC name of 2-(cyclopentylmethoxy)-5-methylbenzenecarboximidamide (CID 107930853) is 2-(cyclopentylmethoxy)-5-methylbenzenecarboximidamide.
What is the SMILES notation for 2-(cyclopentylmethoxy)-5-methylbenzenecarboximidamide?
The canonical SMILES for 2-(cyclopentylmethoxy)-5-methylbenzenecarboximidamide is [H]/N=C(\N)c1cc(C)ccc1OCC1CCCC1.
What is the InChIKey of 2-(cyclopentylmethoxy)-5-methylbenzenecarboximidamide?
The InChIKey is RCBPQCUTGRXUBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-10-6-7-13(12(8-10)14(15)16)17-9-11-4-2-3-5-11/h6-8,11H,2-5,9H2,1H3,(H3,15,16).
What are the key properties of 2-(cyclopentylmethoxy)-5-methylbenzenecarboximidamide?
2-(cyclopentylmethoxy)-5-methylbenzenecarboximidamide has a molecular weight of 232.33 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylmethoxy)-5-methylbenzenecarboximidamide is sourced from PubChem (CID 107930853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).