4-[[2-(butylideneamino)-3-methylphenyl]methoxy]pyridine-2,3,6-triamine

C17H23N5O — CID 145039447

IUPAC4-[[2-(butylideneamino)-3-methylphenyl]methoxy]pyridine-2,3,6-triamine
SMILESCCC/C=N/c1c(C)cccc1COc1cc(N)nc(N)c1N
InChIInChI=1S/C17H23N5O/c1-3-4-8-21-16-11(2)6-5-7-12(16)10-23-13-9-14(18)22-17(20)15(13)19/h5-9H,3-4,10,19H2,1-2H3,(H4,18,20,22)/b21-8+
InChIKeyZZCXVLLHIGSCIG-ODCIPOBUSA-N
MW313.41 g/mol
LogP3.22
Rot. Bonds6

About 4-[[2-(butylideneamino)-3-methylphenyl]methoxy]pyridine-2,3,6-triamine

4-[[2-(butylideneamino)-3-methylphenyl]methoxy]pyridine-2,3,6-triamine (PubChem CID 145039447) has the molecular formula C17H23N5O and a molecular weight of 313.41 g/mol. Its IUPAC name is 4-[[2-(butylideneamino)-3-methylphenyl]methoxy]pyridine-2,3,6-triamine.

Molecular Properties

Compound Name4-[[2-(butylideneamino)-3-methylphenyl]methoxy]pyridine-2,3,6-triamine
PubChem CID145039447
Molecular FormulaC17H23N5O
Molecular Weight313.41 g/mol
Exact Mass313.19
IUPAC Name4-[[2-(butylideneamino)-3-methylphenyl]methoxy]pyridine-2,3,6-triamine
SMILESCCC/C=N/c1c(C)cccc1COc1cc(N)nc(N)c1N
InChIInChI=1S/C17H23N5O/c1-3-4-8-21-16-11(2)6-5-7-12(16)10-23-13-9-14(18)22-17(20)15(13)19/h5-9H,3-4,10,19H2,1-2H3,(H4,18,20,22)/b21-8+
InChIKeyZZCXVLLHIGSCIG-ODCIPOBUSA-N
XLogP3.22
TPSA112.54 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.41
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-phenylmethoxypyridine-2,3,6-triamine;dihydrochloride
CID 131854935
4-[[3-(2-methylpyrazol-3-yl)phenyl]methoxy]pyridine-2,3,6-triamine
CID 126678943
4-(butylideneamino)-3,5-dimethylphenol
CID 70453399
4-[[5-(3-fluorophenyl)-2-methylphenyl]methoxy]-6-hydrazinylpyridine-2,5-diamine
CID 126678926
4-methyl-2-(quinolin-8-ylmethoxy)aniline
CID 28773261
methyl N-(2-ethyl-6-methylphenyl)methanimidate
CID 15176777
4-methyl-3-(propylideneamino)pyridin-2-amine
CID 143720677
2-[(2-chlorophenyl)methoxy]-6-methylaniline
CID 43438077
2-[(2-methylphenoxy)methyl]aniline
CID 21191823
3-[(4-bromo-2,5-dichlorophenoxy)methyl]-2-methylaniline
CID 107656068
2-bromo-3-[(5-fluoro-2-methylphenoxy)methyl]aniline
CID 114048616
3-[(2-ethylphenoxy)methyl]-2-methylaniline
CID 43509418

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(butylideneamino)-3-methylphenyl]methoxy]pyridine-2,3,6-triamine?
The IUPAC name of 4-[[2-(butylideneamino)-3-methylphenyl]methoxy]pyridine-2,3,6-triamine (CID 145039447) is 4-[[2-(butylideneamino)-3-methylphenyl]methoxy]pyridine-2,3,6-triamine.
What is the SMILES notation for 4-[[2-(butylideneamino)-3-methylphenyl]methoxy]pyridine-2,3,6-triamine?
The canonical SMILES for 4-[[2-(butylideneamino)-3-methylphenyl]methoxy]pyridine-2,3,6-triamine is CCC/C=N/c1c(C)cccc1COc1cc(N)nc(N)c1N.
What is the InChIKey of 4-[[2-(butylideneamino)-3-methylphenyl]methoxy]pyridine-2,3,6-triamine?
The InChIKey is ZZCXVLLHIGSCIG-ODCIPOBUSA-N. The full InChI is InChI=1S/C17H23N5O/c1-3-4-8-21-16-11(2)6-5-7-12(16)10-23-13-9-14(18)22-17(20)15(13)19/h5-9H,3-4,10,19H2,1-2H3,(H4,18,20,22)/b21-8+.
What are the key properties of 4-[[2-(butylideneamino)-3-methylphenyl]methoxy]pyridine-2,3,6-triamine?
4-[[2-(butylideneamino)-3-methylphenyl]methoxy]pyridine-2,3,6-triamine has a molecular weight of 313.41 g/mol, XLogP of 3.22, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(butylideneamino)-3-methylphenyl]methoxy]pyridine-2,3,6-triamine is sourced from PubChem (CID 145039447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).