(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 3-(3-trimethoxysilylpropylamino)propanoate

C19H37NO5Si — CID 170692689

IUPAC(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 3-(3-trimethoxysilylpropylamino)propanoate
SMILESCO[Si](CCCNCCC(=O)OC1CC2CCC1(C)C2(C)C)(OC)OC
InChIInChI=1S/C19H37NO5Si/c1-18(2)15-8-10-19(18,3)16(14-15)25-17(21)9-12-20-11-7-13-26(22-4,23-5)24-6/h15-16,20H,7-14H2,1-6H3
InChIKeyFZIHTKPXJBIALZ-UHFFFAOYSA-N
MW387.59 g/mol
LogP2.99
Rot. Bonds11

About (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 3-(3-trimethoxysilylpropylamino)propanoate

(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 3-(3-trimethoxysilylpropylamino)propanoate (PubChem CID 170692689) has the molecular formula C19H37NO5Si and a molecular weight of 387.59 g/mol. Its IUPAC name is (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 3-(3-trimethoxysilylpropylamino)propanoate.

Molecular Properties

Compound Name(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 3-(3-trimethoxysilylpropylamino)propanoate
PubChem CID170692689
Molecular FormulaC19H37NO5Si
Molecular Weight387.59 g/mol
Exact Mass387.24
IUPAC Name(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 3-(3-trimethoxysilylpropylamino)propanoate
SMILESCO[Si](CCCNCCC(=O)OC1CC2CCC1(C)C2(C)C)(OC)OC
InChIInChI=1S/C19H37NO5Si/c1-18(2)15-8-10-19(18,3)16(14-15)25-17(21)9-12-20-11-7-13-26(22-4,23-5)24-6/h15-16,20H,7-14H2,1-6H3
InChIKeyFZIHTKPXJBIALZ-UHFFFAOYSA-N
XLogP2.99
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.59
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

bis(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) hexanedioate
CID 18003095
3-oxo-3-[[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]propanoic acid
CID 917424
bis[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] 9-oxoheptadecanedioate
CID 168962192
4-oxo-4-[[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]butanoic acid
CID 67133080
[(1S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] 2-chloroacetate
CID 46738620
3-pentyloctyl 8-[[8-oxo-8-[[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]octyl]amino]octanoate
CID 168962303
[(1R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] 2-[(2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetate
CID 123733443
trimethyl-[2-oxo-2-[[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]ethyl]azanium
CID 19915989
dimethyl-[2-oxo-2-[[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]ethyl]-[2-oxo-2-[[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]ethyl]azanium
CID 25425263
(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 3-ethoxypropanoate
CID 78925584
[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] N-[[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxycarbonylamino]carbamate
CID 10453143
acetic acid;[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] octanoate
CID 174817653

Frequently Asked Questions

What is the IUPAC name of (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 3-(3-trimethoxysilylpropylamino)propanoate?
The IUPAC name of (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 3-(3-trimethoxysilylpropylamino)propanoate (CID 170692689) is (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 3-(3-trimethoxysilylpropylamino)propanoate.
What is the SMILES notation for (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 3-(3-trimethoxysilylpropylamino)propanoate?
The canonical SMILES for (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 3-(3-trimethoxysilylpropylamino)propanoate is CO[Si](CCCNCCC(=O)OC1CC2CCC1(C)C2(C)C)(OC)OC.
What is the InChIKey of (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 3-(3-trimethoxysilylpropylamino)propanoate?
The InChIKey is FZIHTKPXJBIALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37NO5Si/c1-18(2)15-8-10-19(18,3)16(14-15)25-17(21)9-12-20-11-7-13-26(22-4,23-5)24-6/h15-16,20H,7-14H2,1-6H3.
What are the key properties of (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 3-(3-trimethoxysilylpropylamino)propanoate?
(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 3-(3-trimethoxysilylpropylamino)propanoate has a molecular weight of 387.59 g/mol, XLogP of 2.99, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 3-(3-trimethoxysilylpropylamino)propanoate is sourced from PubChem (CID 170692689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).