2-[butyl(methyl)amino]-4-methoxybenzenecarboximidamide

C13H21N3O — CID 81303854

IUPAC2-[butyl(methyl)amino]-4-methoxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OC)cc1N(C)CCCC
InChIInChI=1S/C13H21N3O/c1-4-5-8-16(2)12-9-10(17-3)6-7-11(12)13(14)15/h6-7,9H,4-5,8H2,1-3H3,(H3,14,15)
InChIKeyUFBOKZKTGRSIBW-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.22
Rot. Bonds6

About 2-[butyl(methyl)amino]-4-methoxybenzenecarboximidamide

2-[butyl(methyl)amino]-4-methoxybenzenecarboximidamide (PubChem CID 81303854) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-[butyl(methyl)amino]-4-methoxybenzenecarboximidamide.

Molecular Properties

Compound Name2-[butyl(methyl)amino]-4-methoxybenzenecarboximidamide
PubChem CID81303854
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2-[butyl(methyl)amino]-4-methoxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OC)cc1N(C)CCCC
InChIInChI=1S/C13H21N3O/c1-4-5-8-16(2)12-9-10(17-3)6-7-11(12)13(14)15/h6-7,9H,4-5,8H2,1-3H3,(H3,14,15)
InChIKeyUFBOKZKTGRSIBW-UHFFFAOYSA-N
XLogP2.22
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.22
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'}

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Related Compounds

2-[2-(dimethylamino)ethyl-methylamino]-4-methoxybenzenecarboximidamide
CID 81303220
2-[2-ethoxyethyl(methyl)amino]-4-methoxybenzenecarboximidamide
CID 81303694
4-methoxy-2-[pentyl(propan-2-yl)amino]benzenecarboximidamide
CID 81303776
2-[2-(dimethylamino)ethyl-propylamino]-4-methoxybenzenecarboximidamide
CID 81302616
4-methoxy-2-[methyl(2-pyridin-4-ylethyl)amino]benzenecarboximidamide
CID 81299445
4-methoxy-2-[methyl(2-pyridin-2-ylethyl)amino]benzenecarboximidamide
CID 81300119
2-butoxy-4-methoxybenzenecarboximidamide
CID 81302951
2-[(3-hydroxycyclobutyl)methyl-methylamino]-4-methoxybenzenecarboximidamide
CID 81302452
4-methoxy-2-propoxybenzenecarboximidamide;hydrochloride
CID 21250754
2,4-dimethoxybenzenecarboximidamide
CID 4138242
4-chloro-2-[5-hydroxypentyl(methyl)amino]benzenecarboximidamide
CID 107200134
2-[2-hydroxyethyl(methyl)amino]-4-methoxybenzenecarbothioamide
CID 81306245

Frequently Asked Questions

What is the IUPAC name of 2-[butyl(methyl)amino]-4-methoxybenzenecarboximidamide?
The IUPAC name of 2-[butyl(methyl)amino]-4-methoxybenzenecarboximidamide (CID 81303854) is 2-[butyl(methyl)amino]-4-methoxybenzenecarboximidamide.
What is the SMILES notation for 2-[butyl(methyl)amino]-4-methoxybenzenecarboximidamide?
The canonical SMILES for 2-[butyl(methyl)amino]-4-methoxybenzenecarboximidamide is [H]/N=C(\N)c1ccc(OC)cc1N(C)CCCC.
What is the InChIKey of 2-[butyl(methyl)amino]-4-methoxybenzenecarboximidamide?
The InChIKey is UFBOKZKTGRSIBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-4-5-8-16(2)12-9-10(17-3)6-7-11(12)13(14)15/h6-7,9H,4-5,8H2,1-3H3,(H3,14,15).
What are the key properties of 2-[butyl(methyl)amino]-4-methoxybenzenecarboximidamide?
2-[butyl(methyl)amino]-4-methoxybenzenecarboximidamide has a molecular weight of 235.33 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(methyl)amino]-4-methoxybenzenecarboximidamide is sourced from PubChem (CID 81303854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).