N-propan-2-yl-3-(2-prop-2-enylphenoxy)-2-trimethylsilyloxypropan-1-amine

C18H31NO2Si — CID 551707

IUPACN-propan-2-yl-3-(2-prop-2-enylphenoxy)-2-trimethylsilyloxypropan-1-amine
SMILESC=CCc1ccccc1OCC(CNC(C)C)O[Si](C)(C)C
InChIInChI=1S/C18H31NO2Si/c1-7-10-16-11-8-9-12-18(16)20-14-17(13-19-15(2)3)21-22(4,5)6/h7-9,11-12,15,17,19H,1,10,13-14H2,2-6H3
InChIKeyIMNCYARVXPRPMP-UHFFFAOYSA-N
MW321.54 g/mol
LogP4.01
Rot. Bonds10

About N-propan-2-yl-3-(2-prop-2-enylphenoxy)-2-trimethylsilyloxypropan-1-amine

N-propan-2-yl-3-(2-prop-2-enylphenoxy)-2-trimethylsilyloxypropan-1-amine (PubChem CID 551707) has the molecular formula C18H31NO2Si and a molecular weight of 321.54 g/mol. Its IUPAC name is N-propan-2-yl-3-(2-prop-2-enylphenoxy)-2-trimethylsilyloxypropan-1-amine.

Molecular Properties

Compound NameN-propan-2-yl-3-(2-prop-2-enylphenoxy)-2-trimethylsilyloxypropan-1-amine
PubChem CID551707
Molecular FormulaC18H31NO2Si
Molecular Weight321.54 g/mol
Exact Mass321.21
IUPAC NameN-propan-2-yl-3-(2-prop-2-enylphenoxy)-2-trimethylsilyloxypropan-1-amine
SMILESC=CCc1ccccc1OCC(CNC(C)C)O[Si](C)(C)C
InChIInChI=1S/C18H31NO2Si/c1-7-10-16-11-8-9-12-18(16)20-14-17(13-19-15(2)3)21-22(4,5)6/h7-9,11-12,15,17,19H,1,10,13-14H2,2-6H3
InChIKeyIMNCYARVXPRPMP-UHFFFAOYSA-N
XLogP4.01
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.54
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[1-(propan-2-ylamino)-3-(2-prop-2-enylphenoxy)propan-2-yl] nitrate
CID 11565574
5-oxo-5-[1-(propan-2-ylamino)-3-(2-prop-2-enylphenoxy)propan-2-yl]oxypentanoic acid
CID 15615402
3-methoxy-N-propan-2-yl-2-(2-prop-2-enylphenoxy)propan-1-amine
CID 103228640
2,3-dihydroxybutanedioic acid;1-(propan-2-ylamino)-3-(2-prop-2-enylphenoxy)propan-2-ol
CID 66615141
[1-(propan-2-ylamino)-3-(2-prop-2-enoxyphenoxy)propan-2-yl] acetate
CID 10425337
(NE)-N-[1-(propan-2-ylamino)-3-(2-prop-2-enylphenoxy)propan-2-ylidene]hydroxylamine
CID 5489436
[(2S)-2-hydroxy-3-(2-prop-2-enylphenoxy)propyl]-dimethyl-propan-2-ylazanium
CID 6543364
N-[2-(2-prop-2-enylphenoxy)ethyl]butan-2-amine
CID 2934658
N-[(2S)-butan-2-yl]-4-(2-prop-2-enylphenoxy)butan-1-amine
CID 2182521
methyl 2-bromo-3-(2-prop-2-enylphenoxy)propanoate
CID 81092362
N-[(2R)-butan-2-yl]-4-(2-prop-2-enylphenoxy)butan-1-amine
CID 2182519
N-[3-methoxy-2-(2-prop-2-enylphenoxy)propyl]-2-methylpropan-1-amine
CID 103228644

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-3-(2-prop-2-enylphenoxy)-2-trimethylsilyloxypropan-1-amine?
The IUPAC name of N-propan-2-yl-3-(2-prop-2-enylphenoxy)-2-trimethylsilyloxypropan-1-amine (CID 551707) is N-propan-2-yl-3-(2-prop-2-enylphenoxy)-2-trimethylsilyloxypropan-1-amine.
What is the SMILES notation for N-propan-2-yl-3-(2-prop-2-enylphenoxy)-2-trimethylsilyloxypropan-1-amine?
The canonical SMILES for N-propan-2-yl-3-(2-prop-2-enylphenoxy)-2-trimethylsilyloxypropan-1-amine is C=CCc1ccccc1OCC(CNC(C)C)O[Si](C)(C)C.
What is the InChIKey of N-propan-2-yl-3-(2-prop-2-enylphenoxy)-2-trimethylsilyloxypropan-1-amine?
The InChIKey is IMNCYARVXPRPMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO2Si/c1-7-10-16-11-8-9-12-18(16)20-14-17(13-19-15(2)3)21-22(4,5)6/h7-9,11-12,15,17,19H,1,10,13-14H2,2-6H3.
What are the key properties of N-propan-2-yl-3-(2-prop-2-enylphenoxy)-2-trimethylsilyloxypropan-1-amine?
N-propan-2-yl-3-(2-prop-2-enylphenoxy)-2-trimethylsilyloxypropan-1-amine has a molecular weight of 321.54 g/mol, XLogP of 4.01, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-3-(2-prop-2-enylphenoxy)-2-trimethylsilyloxypropan-1-amine is sourced from PubChem (CID 551707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).