N-[2-(2,6-dichlorophenyl)-2-triethylsilyloxyethyl]-4-imino-2-methanimidoylbutan-1-amine

C19H31Cl2N3OSi — CID 123526328

IUPACN-[2-(2,6-dichlorophenyl)-2-triethylsilyloxyethyl]-4-imino-2-methanimidoylbutan-1-amine
SMILES[H]/N=C/CC(/C=N/[H])CNCC(O[Si](CC)(CC)CC)c1c(Cl)cccc1Cl
InChIInChI=1S/C19H31Cl2N3OSi/c1-4-26(5-2,6-3)25-18(14-24-13-15(12-23)10-11-22)19-16(20)8-7-9-17(19)21/h7-9,11-12,15,18,22-24H,4-6,10,13-14H2,1-3H3/b22-11+,23-12+
InChIKeyMKWHRUCGDAUUCE-LCHFAGMQSA-N
MW416.47 g/mol
LogP5.95
Rot. Bonds13

About N-[2-(2,6-dichlorophenyl)-2-triethylsilyloxyethyl]-4-imino-2-methanimidoylbutan-1-amine

N-[2-(2,6-dichlorophenyl)-2-triethylsilyloxyethyl]-4-imino-2-methanimidoylbutan-1-amine (PubChem CID 123526328) has the molecular formula C19H31Cl2N3OSi and a molecular weight of 416.47 g/mol. Its IUPAC name is N-[2-(2,6-dichlorophenyl)-2-triethylsilyloxyethyl]-4-imino-2-methanimidoylbutan-1-amine.

Molecular Properties

Compound NameN-[2-(2,6-dichlorophenyl)-2-triethylsilyloxyethyl]-4-imino-2-methanimidoylbutan-1-amine
PubChem CID123526328
Molecular FormulaC19H31Cl2N3OSi
Molecular Weight416.47 g/mol
Exact Mass415.16
IUPAC NameN-[2-(2,6-dichlorophenyl)-2-triethylsilyloxyethyl]-4-imino-2-methanimidoylbutan-1-amine
SMILES[H]/N=C/CC(/C=N/[H])CNCC(O[Si](CC)(CC)CC)c1c(Cl)cccc1Cl
InChIInChI=1S/C19H31Cl2N3OSi/c1-4-26(5-2,6-3)25-18(14-24-13-15(12-23)10-11-22)19-16(20)8-7-9-17(19)21/h7-9,11-12,15,18,22-24H,4-6,10,13-14H2,1-3H3/b22-11+,23-12+
InChIKeyMKWHRUCGDAUUCE-LCHFAGMQSA-N
XLogP5.95
TPSA68.96 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.47
LogP ≤ 55.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2,6-dichlorophenyl)-2-triethylsilyloxyethyl]spiro[3.3]heptan-3-amine
CID 123383749
2-(2-chloro-6-methoxyphenyl)-2-triethylsilyloxyethanamine
CID 123701807
1-(2-chloro-6-methoxyphenyl)ethoxy-triethylsilane
CID 123207858
N-[2-(3,5-dichloro-4-pyridinyl)-2-triethylsilyloxyethyl]-3,3-dimethylbutan-2-amine
CID 123329230
2-(2,6-dichloro-4-methoxyphenyl)-N-[(3,3-dimethylcyclobutyl)methyl]-2-triethylsilyloxyethanamine
CID 123321199
4-[[[2-(3,5-dichloro-4-pyridinyl)-2-triethylsilyloxyethyl]amino]methyl]-1-methylcyclohexan-1-ol
CID 123654554
2-[2,6-dichloro-4-(trifluoromethoxy)phenyl]-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-triethylsilyloxyethanamine
CID 123999425
2-(2,6-dichlorophenyl)ethanimine
CID 57206389
N-[(2S)-2-(3,5-dichloro-4-pyridinyl)-2-triethylsilyloxyethyl]spiro[3.3]heptan-2-amine
CID 125493616
2-(2-chloro-4,6-dimethylphenyl)-N-(spiro[2.5]octan-6-ylmethyl)-2-triethylsilyloxyethanamine
CID 123276173
2-ethyl-4-iminobutanal
CID 173121317
1-(2,6-dichlorophenyl)-N-ethylbut-3-en-1-amine
CID 115814034

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dichlorophenyl)-2-triethylsilyloxyethyl]-4-imino-2-methanimidoylbutan-1-amine?
The IUPAC name of N-[2-(2,6-dichlorophenyl)-2-triethylsilyloxyethyl]-4-imino-2-methanimidoylbutan-1-amine (CID 123526328) is N-[2-(2,6-dichlorophenyl)-2-triethylsilyloxyethyl]-4-imino-2-methanimidoylbutan-1-amine.
What is the SMILES notation for N-[2-(2,6-dichlorophenyl)-2-triethylsilyloxyethyl]-4-imino-2-methanimidoylbutan-1-amine?
The canonical SMILES for N-[2-(2,6-dichlorophenyl)-2-triethylsilyloxyethyl]-4-imino-2-methanimidoylbutan-1-amine is [H]/N=C/CC(/C=N/[H])CNCC(O[Si](CC)(CC)CC)c1c(Cl)cccc1Cl.
What is the InChIKey of N-[2-(2,6-dichlorophenyl)-2-triethylsilyloxyethyl]-4-imino-2-methanimidoylbutan-1-amine?
The InChIKey is MKWHRUCGDAUUCE-LCHFAGMQSA-N. The full InChI is InChI=1S/C19H31Cl2N3OSi/c1-4-26(5-2,6-3)25-18(14-24-13-15(12-23)10-11-22)19-16(20)8-7-9-17(19)21/h7-9,11-12,15,18,22-24H,4-6,10,13-14H2,1-3H3/b22-11+,23-12+.
What are the key properties of N-[2-(2,6-dichlorophenyl)-2-triethylsilyloxyethyl]-4-imino-2-methanimidoylbutan-1-amine?
N-[2-(2,6-dichlorophenyl)-2-triethylsilyloxyethyl]-4-imino-2-methanimidoylbutan-1-amine has a molecular weight of 416.47 g/mol, XLogP of 5.95, 13 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dichlorophenyl)-2-triethylsilyloxyethyl]-4-imino-2-methanimidoylbutan-1-amine is sourced from PubChem (CID 123526328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).