5-methyl-2-octoxybenzenecarboximidamide

C16H26N2O — CID 107930759

IUPAC5-methyl-2-octoxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(C)ccc1OCCCCCCCC
InChIInChI=1S/C16H26N2O/c1-3-4-5-6-7-8-11-19-15-10-9-13(2)12-14(15)16(17)18/h9-10,12H,3-8,11H2,1-2H3,(H3,17,18)
InChIKeyVEWQWHYICMIICQ-UHFFFAOYSA-N
MW262.40 g/mol
LogP4.02
Rot. Bonds9

About 5-methyl-2-octoxybenzenecarboximidamide

5-methyl-2-octoxybenzenecarboximidamide (PubChem CID 107930759) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 5-methyl-2-octoxybenzenecarboximidamide.

Molecular Properties

Compound Name5-methyl-2-octoxybenzenecarboximidamide
PubChem CID107930759
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name5-methyl-2-octoxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(C)ccc1OCCCCCCCC
InChIInChI=1S/C16H26N2O/c1-3-4-5-6-7-8-11-19-15-10-9-13(2)12-14(15)16(17)18/h9-10,12H,3-8,11H2,1-2H3,(H3,17,18)
InChIKeyVEWQWHYICMIICQ-UHFFFAOYSA-N
XLogP4.02
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-pentoxy-5-(trifluoromethyl)benzenecarboximidamide
CID 43275185
5-bromo-2-butoxybenzenecarboximidamide
CID 114893278
4-methyl-2-propoxybenzenecarboximidamide;hydrochloride
CID 21250746
5-methyl-2-nonoxybenzoic acid
CID 63463067
(NE)-N-[1-(2-hexadecoxy-5-methylphenyl)ethylidene]hydroxylamine
CID 98298024
2-[(4-bromophenyl)methoxy]-5-methylbenzenecarboximidamide
CID 107930870
2-(cyclopentylmethoxy)-5-methylbenzenecarboximidamide
CID 107930853
2-butoxy-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107930175
5-methyl-2-(4-methylcyclohexyl)oxybenzenecarboximidamide
CID 114017325
2-(2-fluoro-5-methylphenoxy)-5-methylbenzenecarboximidamide
CID 107930844
4-butoxy-3-methylbenzenecarboximidamide
CID 60929965
5-methyl-2-(3-methylphenoxy)benzenecarboximidamide
CID 114017320

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-octoxybenzenecarboximidamide?
The IUPAC name of 5-methyl-2-octoxybenzenecarboximidamide (CID 107930759) is 5-methyl-2-octoxybenzenecarboximidamide.
What is the SMILES notation for 5-methyl-2-octoxybenzenecarboximidamide?
The canonical SMILES for 5-methyl-2-octoxybenzenecarboximidamide is [H]/N=C(\N)c1cc(C)ccc1OCCCCCCCC.
What is the InChIKey of 5-methyl-2-octoxybenzenecarboximidamide?
The InChIKey is VEWQWHYICMIICQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-3-4-5-6-7-8-11-19-15-10-9-13(2)12-14(15)16(17)18/h9-10,12H,3-8,11H2,1-2H3,(H3,17,18).
What are the key properties of 5-methyl-2-octoxybenzenecarboximidamide?
5-methyl-2-octoxybenzenecarboximidamide has a molecular weight of 262.40 g/mol, XLogP of 4.02, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-octoxybenzenecarboximidamide is sourced from PubChem (CID 107930759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).