N'-[3-[tert-butyl-(2-iodopropan-2-yloxy)-methylsilyl]propyl]ethane-1,2-diamine

C13H31IN2OSi — CID 147256432

IUPACN'-[3-[tert-butyl-(2-iodopropan-2-yloxy)-methylsilyl]propyl]ethane-1,2-diamine
SMILESCC(C)(I)O[Si](C)(CCCNCCN)C(C)(C)C
InChIInChI=1S/C13H31IN2OSi/c1-12(2,3)18(6,17-13(4,5)14)11-7-9-16-10-8-15/h16H,7-11,15H2,1-6H3
InChIKeyCNSCZEKYDIXFFW-UHFFFAOYSA-N
MW386.39 g/mol
LogP3.49
Rot. Bonds8

About N'-[3-[tert-butyl-(2-iodopropan-2-yloxy)-methylsilyl]propyl]ethane-1,2-diamine

N'-[3-[tert-butyl-(2-iodopropan-2-yloxy)-methylsilyl]propyl]ethane-1,2-diamine (PubChem CID 147256432) has the molecular formula C13H31IN2OSi and a molecular weight of 386.39 g/mol. Its IUPAC name is N'-[3-[tert-butyl-(2-iodopropan-2-yloxy)-methylsilyl]propyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[3-[tert-butyl-(2-iodopropan-2-yloxy)-methylsilyl]propyl]ethane-1,2-diamine
PubChem CID147256432
Molecular FormulaC13H31IN2OSi
Molecular Weight386.39 g/mol
Exact Mass386.13
IUPAC NameN'-[3-[tert-butyl-(2-iodopropan-2-yloxy)-methylsilyl]propyl]ethane-1,2-diamine
SMILESCC(C)(I)O[Si](C)(CCCNCCN)C(C)(C)C
InChIInChI=1S/C13H31IN2OSi/c1-12(2,3)18(6,17-13(4,5)14)11-7-9-16-10-8-15/h16H,7-11,15H2,1-6H3
InChIKeyCNSCZEKYDIXFFW-UHFFFAOYSA-N
XLogP3.49
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.39
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N'-[3-(2-aminopropan-2-yloxy-tert-butyl-methylsilyl)propyl]ethane-1,2-diamine
CID 123546077
N'-[2-(3-trimethoxysilylpropylamino)ethyl]ethane-1,2-diamine
CID 159586592
potassium N'-[3-[dihydroxy(methyl)silyl]propyl]ethane-1,2-diamine
CID 134692490
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;2-hydroperoxy-2-methylpropane
CID 161199167
N'-[3-[[[3-aminopropyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]ethane-1,2-diamine
CID 59096415
[diacetyloxy-[3-(2-aminoethylamino)propyl]silyl] acetate
CID 22457230
N'-[3-[[3-[dimethyl(2-methylbutan-2-yloxy)silyl]-3-ethyl-4-methylheptan-4-yl]oxy-methyl-(3-methylpentan-3-yl)silyl]propyl]ethane-1,2-diamine
CID 123765930
[acetyloxy-[3-(2-aminoethylamino)propyl]-methylsilyl] acetate
CID 87568873
N'-[3-[[[3-(2-aminoethylamino)propyl-diethoxysilyl]oxy-dimethylsilyl]oxy-diethoxysilyl]propyl]ethane-1,2-diamine
CID 169060435
propan-2-one;N'-(3-trimethoxysilylpropyl)ethane-1,2-diamine
CID 175097855
N'-(8-trimethoxysilyloctyl)ethane-1,2-diamine
CID 132554515
N'-(3-trimethylsilylpropyl)pentane-1,5-diamine
CID 161138133

Frequently Asked Questions

What is the IUPAC name of N'-[3-[tert-butyl-(2-iodopropan-2-yloxy)-methylsilyl]propyl]ethane-1,2-diamine?
The IUPAC name of N'-[3-[tert-butyl-(2-iodopropan-2-yloxy)-methylsilyl]propyl]ethane-1,2-diamine (CID 147256432) is N'-[3-[tert-butyl-(2-iodopropan-2-yloxy)-methylsilyl]propyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[3-[tert-butyl-(2-iodopropan-2-yloxy)-methylsilyl]propyl]ethane-1,2-diamine?
The canonical SMILES for N'-[3-[tert-butyl-(2-iodopropan-2-yloxy)-methylsilyl]propyl]ethane-1,2-diamine is CC(C)(I)O[Si](C)(CCCNCCN)C(C)(C)C.
What is the InChIKey of N'-[3-[tert-butyl-(2-iodopropan-2-yloxy)-methylsilyl]propyl]ethane-1,2-diamine?
The InChIKey is CNSCZEKYDIXFFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H31IN2OSi/c1-12(2,3)18(6,17-13(4,5)14)11-7-9-16-10-8-15/h16H,7-11,15H2,1-6H3.
What are the key properties of N'-[3-[tert-butyl-(2-iodopropan-2-yloxy)-methylsilyl]propyl]ethane-1,2-diamine?
N'-[3-[tert-butyl-(2-iodopropan-2-yloxy)-methylsilyl]propyl]ethane-1,2-diamine has a molecular weight of 386.39 g/mol, XLogP of 3.49, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-[tert-butyl-(2-iodopropan-2-yloxy)-methylsilyl]propyl]ethane-1,2-diamine is sourced from PubChem (CID 147256432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).