N-ethyl-N-methyl-N'-[2-methyl-6-[(2-methylphenyl)methoxy]-5-tripropylsilyl-3-pyridinyl]methanimidamide

C27H43N3OSi — CID 123308692

IUPACN-ethyl-N-methyl-N'-[2-methyl-6-[(2-methylphenyl)methoxy]-5-tripropylsilyl-3-pyridinyl]methanimidamide
SMILESCCC[Si](CCC)(CCC)c1cc(/N=C/N(C)CC)c(C)nc1OCc1ccccc1C
InChIInChI=1S/C27H43N3OSi/c1-8-16-32(17-9-2,18-10-3)26-19-25(28-21-30(7)11-4)23(6)29-27(26)31-20-24-15-13-12-14-22(24)5/h12-15,19,21H,8-11,16-18,20H2,1-7H3/b28-21+
InChIKeyWTBSERGWGKSKKW-SGWCAAJKSA-N
MW453.75 g/mol
LogP6.77
Rot. Bonds13

About N-ethyl-N-methyl-N'-[2-methyl-6-[(2-methylphenyl)methoxy]-5-tripropylsilyl-3-pyridinyl]methanimidamide

N-ethyl-N-methyl-N'-[2-methyl-6-[(2-methylphenyl)methoxy]-5-tripropylsilyl-3-pyridinyl]methanimidamide (PubChem CID 123308692) has the molecular formula C27H43N3OSi and a molecular weight of 453.75 g/mol. Its IUPAC name is N-ethyl-N-methyl-N'-[2-methyl-6-[(2-methylphenyl)methoxy]-5-tripropylsilyl-3-pyridinyl]methanimidamide.

Molecular Properties

Compound NameN-ethyl-N-methyl-N'-[2-methyl-6-[(2-methylphenyl)methoxy]-5-tripropylsilyl-3-pyridinyl]methanimidamide
PubChem CID123308692
Molecular FormulaC27H43N3OSi
Molecular Weight453.75 g/mol
Exact Mass453.32
IUPAC NameN-ethyl-N-methyl-N'-[2-methyl-6-[(2-methylphenyl)methoxy]-5-tripropylsilyl-3-pyridinyl]methanimidamide
SMILESCCC[Si](CCC)(CCC)c1cc(/N=C/N(C)CC)c(C)nc1OCc1ccccc1C
InChIInChI=1S/C27H43N3OSi/c1-8-16-32(17-9-2,18-10-3)26-19-25(28-21-30(7)11-4)23(6)29-27(26)31-20-24-15-13-12-14-22(24)5/h12-15,19,21H,8-11,16-18,20H2,1-7H3/b28-21+
InChIKeyWTBSERGWGKSKKW-SGWCAAJKSA-N
XLogP6.77
TPSA37.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.75
LogP ≤ 56.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[2,5-dimethyl-6-[methyl-[(2-methylphenyl)methyl]amino]-3-pyridinyl]-N-ethyl-N-methylmethanimidamide
CID 118034859
N-ethyl-N'-[5-methoxy-2-methyl-3-[(2-methylphenyl)methyl]phenyl]-N-methylmethanimidamide
CID 154647774
N-methyl-N'-[3-methyl-4-[(2-methylphenyl)methoxy]phenyl]-N-propylmethanimidamide
CID 139453832
CID 89181199
CID 89181199
N'-[2,5-dimethyl-6-(3-propanoylphenoxy)-3-pyridinyl]-N-ethyl-N-methylmethanimidamide
CID 25157057
N'-[5-bromo-2-methyl-6-[(2S)-1-propoxypropan-2-yl]oxy-3-pyridinyl]-N-ethyl-N-methylmethanimidamide
CID 91971354
N'-[5-bromo-6-[2-(3,5-difluorophenyl)ethoxy]-2-methyl-3-pyridinyl]-N-ethyl-N-methylmethanimidamide
CID 90022632
N'-[5-(difluoromethyl)-2-methyl-6-(1-propoxypropan-2-yloxy)-3-pyridinyl]-N-ethyl-N-methylmethanimidamide
CID 129032590
N'-[5-[1-(dimethylamino)ethenyl]-2,6-dimethyl-3-pyridinyl]-N-ethyl-N-methylmethanimidamide
CID 145294582
N'-(2,5-dimethylphenyl)-N-ethyl-N-methylmethanimidamide
CID 66796149
N-ethyl-N-methyl-N'-[2-methyl-6-(4-methylpentoxy)-3-pyridinyl]methanimidamide
CID 25159030
N'-[5-bromo-6-(4-tert-butylcyclohexyl)oxy-2-methyl-3-pyridinyl]-N-ethyl-N-methylmethanimidamide
CID 71003651

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-N'-[2-methyl-6-[(2-methylphenyl)methoxy]-5-tripropylsilyl-3-pyridinyl]methanimidamide?
The IUPAC name of N-ethyl-N-methyl-N'-[2-methyl-6-[(2-methylphenyl)methoxy]-5-tripropylsilyl-3-pyridinyl]methanimidamide (CID 123308692) is N-ethyl-N-methyl-N'-[2-methyl-6-[(2-methylphenyl)methoxy]-5-tripropylsilyl-3-pyridinyl]methanimidamide.
What is the SMILES notation for N-ethyl-N-methyl-N'-[2-methyl-6-[(2-methylphenyl)methoxy]-5-tripropylsilyl-3-pyridinyl]methanimidamide?
The canonical SMILES for N-ethyl-N-methyl-N'-[2-methyl-6-[(2-methylphenyl)methoxy]-5-tripropylsilyl-3-pyridinyl]methanimidamide is CCC[Si](CCC)(CCC)c1cc(/N=C/N(C)CC)c(C)nc1OCc1ccccc1C.
What is the InChIKey of N-ethyl-N-methyl-N'-[2-methyl-6-[(2-methylphenyl)methoxy]-5-tripropylsilyl-3-pyridinyl]methanimidamide?
The InChIKey is WTBSERGWGKSKKW-SGWCAAJKSA-N. The full InChI is InChI=1S/C27H43N3OSi/c1-8-16-32(17-9-2,18-10-3)26-19-25(28-21-30(7)11-4)23(6)29-27(26)31-20-24-15-13-12-14-22(24)5/h12-15,19,21H,8-11,16-18,20H2,1-7H3/b28-21+.
What are the key properties of N-ethyl-N-methyl-N'-[2-methyl-6-[(2-methylphenyl)methoxy]-5-tripropylsilyl-3-pyridinyl]methanimidamide?
N-ethyl-N-methyl-N'-[2-methyl-6-[(2-methylphenyl)methoxy]-5-tripropylsilyl-3-pyridinyl]methanimidamide has a molecular weight of 453.75 g/mol, XLogP of 6.77, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-N'-[2-methyl-6-[(2-methylphenyl)methoxy]-5-tripropylsilyl-3-pyridinyl]methanimidamide is sourced from PubChem (CID 123308692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).