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

C13H33N3OSi — CID 123546077

IUPACN'-[3-(2-aminopropan-2-yloxy-tert-butyl-methylsilyl)propyl]ethane-1,2-diamine
SMILESCC(C)(N)O[Si](C)(CCCNCCN)C(C)(C)C
InChIInChI=1S/C13H33N3OSi/c1-12(2,3)18(6,17-13(4,5)15)11-7-9-16-10-8-14/h16H,7-11,14-15H2,1-6H3
InChIKeyUIGNHCLTCPPMNL-UHFFFAOYSA-N
MW275.51 g/mol
LogP2.01
Rot. Bonds8

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

N'-[3-(2-aminopropan-2-yloxy-tert-butyl-methylsilyl)propyl]ethane-1,2-diamine (PubChem CID 123546077) has the molecular formula C13H33N3OSi and a molecular weight of 275.51 g/mol. Its IUPAC name is N'-[3-(2-aminopropan-2-yloxy-tert-butyl-methylsilyl)propyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[3-(2-aminopropan-2-yloxy-tert-butyl-methylsilyl)propyl]ethane-1,2-diamine
PubChem CID123546077
Molecular FormulaC13H33N3OSi
Molecular Weight275.51 g/mol
Exact Mass275.24
IUPAC NameN'-[3-(2-aminopropan-2-yloxy-tert-butyl-methylsilyl)propyl]ethane-1,2-diamine
SMILESCC(C)(N)O[Si](C)(CCCNCCN)C(C)(C)C
InChIInChI=1S/C13H33N3OSi/c1-12(2,3)18(6,17-13(4,5)15)11-7-9-16-10-8-14/h16H,7-11,14-15H2,1-6H3
InChIKeyUIGNHCLTCPPMNL-UHFFFAOYSA-N
XLogP2.01
TPSA73.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.51
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N'-[3-[tert-butyl-(2-iodopropan-2-yloxy)-methylsilyl]propyl]ethane-1,2-diamine
CID 147256432
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'-[3-[[[3-aminopropyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]ethane-1,2-diamine
CID 59096415
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
N'-[3-(hydroxy-trimethylsilyloxy-trimethylsilylperoxysilyl)propyl]ethane-1,2-diamine
CID 167605652
N'-[3-[[methoxy(dimethyl)silyl]oxy-[[methoxy(dimethyl)silyl]oxy-dimethylsilyl]oxy-methylsilyl]propyl]ethane-1,2-diamine
CID 156629335

Frequently Asked Questions

What is the IUPAC name of N'-[3-(2-aminopropan-2-yloxy-tert-butyl-methylsilyl)propyl]ethane-1,2-diamine?
The IUPAC name of N'-[3-(2-aminopropan-2-yloxy-tert-butyl-methylsilyl)propyl]ethane-1,2-diamine (CID 123546077) is N'-[3-(2-aminopropan-2-yloxy-tert-butyl-methylsilyl)propyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[3-(2-aminopropan-2-yloxy-tert-butyl-methylsilyl)propyl]ethane-1,2-diamine?
The canonical SMILES for N'-[3-(2-aminopropan-2-yloxy-tert-butyl-methylsilyl)propyl]ethane-1,2-diamine is CC(C)(N)O[Si](C)(CCCNCCN)C(C)(C)C.
What is the InChIKey of N'-[3-(2-aminopropan-2-yloxy-tert-butyl-methylsilyl)propyl]ethane-1,2-diamine?
The InChIKey is UIGNHCLTCPPMNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H33N3OSi/c1-12(2,3)18(6,17-13(4,5)15)11-7-9-16-10-8-14/h16H,7-11,14-15H2,1-6H3.
What are the key properties of N'-[3-(2-aminopropan-2-yloxy-tert-butyl-methylsilyl)propyl]ethane-1,2-diamine?
N'-[3-(2-aminopropan-2-yloxy-tert-butyl-methylsilyl)propyl]ethane-1,2-diamine has a molecular weight of 275.51 g/mol, XLogP of 2.01, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(2-aminopropan-2-yloxy-tert-butyl-methylsilyl)propyl]ethane-1,2-diamine is sourced from PubChem (CID 123546077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).