2-amino-2-ethyl-5-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]pentan-1-ol

C17H33NO2 — CID 106810648

IUPAC2-amino-2-ethyl-5-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]pentan-1-ol
SMILESCCC(N)(CO)CCCOC1CC2CCC1(C)C2(C)C
InChIInChI=1S/C17H33NO2/c1-5-17(18,12-19)8-6-10-20-14-11-13-7-9-16(14,4)15(13,2)3/h13-14,19H,5-12,18H2,1-4H3
InChIKeyICJOMOJVMZNJFO-UHFFFAOYSA-N
MW283.46 g/mol
LogP3.10
Rot. Bonds7

About 2-amino-2-ethyl-5-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]pentan-1-ol

2-amino-2-ethyl-5-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]pentan-1-ol (PubChem CID 106810648) has the molecular formula C17H33NO2 and a molecular weight of 283.46 g/mol. Its IUPAC name is 2-amino-2-ethyl-5-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]pentan-1-ol.

Molecular Properties

Compound Name2-amino-2-ethyl-5-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]pentan-1-ol
PubChem CID106810648
Molecular FormulaC17H33NO2
Molecular Weight283.46 g/mol
Exact Mass283.25
IUPAC Name2-amino-2-ethyl-5-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]pentan-1-ol
SMILESCCC(N)(CO)CCCOC1CC2CCC1(C)C2(C)C
InChIInChI=1S/C17H33NO2/c1-5-17(18,12-19)8-6-10-20-14-11-13-7-9-16(14,4)15(13,2)3/h13-14,19H,5-12,18H2,1-4H3
InChIKeyICJOMOJVMZNJFO-UHFFFAOYSA-N
XLogP3.10
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-amino-2-ethyl-5-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]pentan-1-ol with MolForge

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Related Compounds

(1S,4R)-2-ethoxy-1,7,7-trimethylbicyclo[2.2.1]heptane
CID 174997448
N'-[2-[[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]ethyl]ethane-1,2-diamine
CID 19915932
dimethyl-[2-[[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]ethyl]-[2-[[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]ethyl]azanium
CID 25276894
2-[2,2-dimethyl-3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propoxy]-1,7,7-trimethylbicyclo[2.2.1]heptane
CID 57494932
6-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]hex-2-enoic acid
CID 57088031
(2-butoxy-2-oxoethyl)-dimethyl-[2-[[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]ethyl]azanium
CID 19915971
N-[4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]butyl]prop-2-enamide
CID 70448330
(2-ethoxy-2-oxoethyl)-dimethyl-[2-[[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]ethyl]azanium
CID 19915979
1-methoxy-3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propan-2-ol
CID 107508438
(2-ethoxy-2-oxoethyl)-dimethyl-[2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]ethyl]azanium bromide
CID 44656242
2-amino-5-(2-cyclobutylethoxy)-2-ethylpentan-1-ol
CID 106206804
2-[[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]ethyl thiocyanate
CID 6581701

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-ethyl-5-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]pentan-1-ol?
The IUPAC name of 2-amino-2-ethyl-5-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]pentan-1-ol (CID 106810648) is 2-amino-2-ethyl-5-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]pentan-1-ol.
What is the SMILES notation for 2-amino-2-ethyl-5-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]pentan-1-ol?
The canonical SMILES for 2-amino-2-ethyl-5-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]pentan-1-ol is CCC(N)(CO)CCCOC1CC2CCC1(C)C2(C)C.
What is the InChIKey of 2-amino-2-ethyl-5-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]pentan-1-ol?
The InChIKey is ICJOMOJVMZNJFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO2/c1-5-17(18,12-19)8-6-10-20-14-11-13-7-9-16(14,4)15(13,2)3/h13-14,19H,5-12,18H2,1-4H3.
What are the key properties of 2-amino-2-ethyl-5-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]pentan-1-ol?
2-amino-2-ethyl-5-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]pentan-1-ol has a molecular weight of 283.46 g/mol, XLogP of 3.10, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-ethyl-5-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]pentan-1-ol is sourced from PubChem (CID 106810648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).