N'-butyl-4-methoxy-N,N-dimethylbenzenecarboximidamide

C14H22N2O — CID 525616

IUPACN'-butyl-4-methoxy-N,N-dimethylbenzenecarboximidamide
SMILESCCCC/N=C(/c1ccc(OC)cc1)N(C)C
InChIInChI=1S/C14H22N2O/c1-5-6-11-15-14(16(2)3)12-7-9-13(17-4)10-8-12/h7-10H,5-6,11H2,1-4H3/b15-14-
InChIKeyTYSVTMBBVZFYJU-PFONDFGASA-N
MW234.34 g/mol
LogP2.80
Rot. Bonds5

About N'-butyl-4-methoxy-N,N-dimethylbenzenecarboximidamide

N'-butyl-4-methoxy-N,N-dimethylbenzenecarboximidamide (PubChem CID 525616) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N'-butyl-4-methoxy-N,N-dimethylbenzenecarboximidamide.

Molecular Properties

Compound NameN'-butyl-4-methoxy-N,N-dimethylbenzenecarboximidamide
PubChem CID525616
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN'-butyl-4-methoxy-N,N-dimethylbenzenecarboximidamide
SMILESCCCC/N=C(/c1ccc(OC)cc1)N(C)C
InChIInChI=1S/C14H22N2O/c1-5-6-11-15-14(16(2)3)12-7-9-13(17-4)10-8-12/h7-10H,5-6,11H2,1-4H3/b15-14-
InChIKeyTYSVTMBBVZFYJU-PFONDFGASA-N
XLogP2.80
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.80
H-Bond Donors ≤ 50
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

4-methoxy-N,N-dimethyl-N'-nonylbenzenecarboximidamide
CID 525636
1-amino-2-butyl-3-(4-methoxyphenyl)guanidine
CID 116511366
(Z)-3-butylimino-1-(4-methoxyphenyl)-3-phenylprop-1-en-1-amine
CID 10968854
1-(4-methoxyphenyl)-N-[1-(4-methoxyphenyl)tetradecylideneamino]tetradecan-1-imine
CID 4658551
2-butyl-3-ethyl-1-[(4-methoxyphenyl)methyl]-1-methylguanidine;hydroiodide
CID 111271274
(2Z)-N-hydroxy-2-hydroxyimino-2-(4-methoxyphenyl)-N'-pentylethanimidamide
CID 137295692
N'-hydroxy-4-methoxy-N-methyl-N-propan-2-ylbenzenecarboximidamide
CID 134110506
N,N-dibutyl-4-methoxybenzamide
CID 2163395
4-butoxy-N-(4-methoxyphenyl)benzenecarbothioamide
CID 71385643
N-[(E)-4-butylimino-1,1,1-trifluoro-4-phenylbut-2-en-2-yl]-4-methoxyaniline
CID 177447046
N-ethyl-4-methoxybenzenecarboximidoyl chloride
CID 18948655
1-(4-methoxyphenyl)tetradecan-1-one
CID 4168978

Frequently Asked Questions

What is the IUPAC name of N'-butyl-4-methoxy-N,N-dimethylbenzenecarboximidamide?
The IUPAC name of N'-butyl-4-methoxy-N,N-dimethylbenzenecarboximidamide (CID 525616) is N'-butyl-4-methoxy-N,N-dimethylbenzenecarboximidamide.
What is the SMILES notation for N'-butyl-4-methoxy-N,N-dimethylbenzenecarboximidamide?
The canonical SMILES for N'-butyl-4-methoxy-N,N-dimethylbenzenecarboximidamide is CCCC/N=C(/c1ccc(OC)cc1)N(C)C.
What is the InChIKey of N'-butyl-4-methoxy-N,N-dimethylbenzenecarboximidamide?
The InChIKey is TYSVTMBBVZFYJU-PFONDFGASA-N. The full InChI is InChI=1S/C14H22N2O/c1-5-6-11-15-14(16(2)3)12-7-9-13(17-4)10-8-12/h7-10H,5-6,11H2,1-4H3/b15-14-.
What are the key properties of N'-butyl-4-methoxy-N,N-dimethylbenzenecarboximidamide?
N'-butyl-4-methoxy-N,N-dimethylbenzenecarboximidamide has a molecular weight of 234.34 g/mol, XLogP of 2.80, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butyl-4-methoxy-N,N-dimethylbenzenecarboximidamide is sourced from PubChem (CID 525616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).