3-ethoxypropyl-[2-oxo-2-[[(1S,2R,4R)-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]ethyl]azanium

C17H33N2O2+ — CID 50937702

IUPAC3-ethoxypropyl-[2-oxo-2-[[(1S,2R,4R)-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]ethyl]azanium
SMILESCCOCCC[NH2+]CC(=O)N[C@]1(C)[C@H]2CC[C@H](C2)C1(C)C
InChIInChI=1S/C17H32N2O2/c1-5-21-10-6-9-18-12-15(20)19-17(4)14-8-7-13(11-14)16(17,2)3/h13-14,18H,5-12H2,1-4H3,(H,19,20)/p+1/t13-,14+,17-/m1/s1
InChIKeyADQOVMUDQNVVLB-JKIFEVAISA-O
MW297.46 g/mol
LogP1.31
Rot. Bonds8

About 3-ethoxypropyl-[2-oxo-2-[[(1S,2R,4R)-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]ethyl]azanium

3-ethoxypropyl-[2-oxo-2-[[(1S,2R,4R)-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]ethyl]azanium (PubChem CID 50937702) has the molecular formula C17H33N2O2+ and a molecular weight of 297.46 g/mol. Its IUPAC name is 3-ethoxypropyl-[2-oxo-2-[[(1S,2R,4R)-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]ethyl]azanium.

Molecular Properties

Compound Name3-ethoxypropyl-[2-oxo-2-[[(1S,2R,4R)-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]ethyl]azanium
PubChem CID50937702
Molecular FormulaC17H33N2O2+
Molecular Weight297.46 g/mol
Exact Mass297.25
IUPAC Name3-ethoxypropyl-[2-oxo-2-[[(1S,2R,4R)-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]ethyl]azanium
SMILESCCOCCC[NH2+]CC(=O)N[C@]1(C)[C@H]2CC[C@H](C2)C1(C)C
InChIInChI=1S/C17H32N2O2/c1-5-21-10-6-9-18-12-15(20)19-17(4)14-8-7-13(11-14)16(17,2)3/h13-14,18H,5-12H2,1-4H3,(H,19,20)/p+1/t13-,14+,17-/m1/s1
InChIKeyADQOVMUDQNVVLB-JKIFEVAISA-O
XLogP1.31
TPSA54.94 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.46
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-ethoxypropyl-[2-oxo-2-[[(1S,2R,4R)-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]ethyl]azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-ethoxypropylamino)-N-(2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide
CID 649359
2-(3-ethoxypropylamino)-N-(2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide;hydrochloride
CID 6603398
[2-oxo-2-[[(1S,2R,4R)-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]ethyl]-(2-pyrrolidin-1-ium-1-ylethyl)azanium
CID 7450792
cyclohexylmethyl-[2-oxo-2-[[(1R,2R,4S)-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]ethyl]azanium
CID 7450784
N-[(1S,2S,4S)-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]butanamide
CID 129405852
cyclohexyl-[2-oxo-2-[[(1R,2R,4S)-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]ethyl]azanium
CID 7450825
furan-2-ylmethyl-[2-oxo-2-[[(1S,2R,4R)-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]ethyl]azanium
CID 7450813
2-(4-ethylpiperazin-1-yl)-N-[(1S,2R,4R)-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide
CID 50935453
2-(cyclohexylamino)-N-[(1S,2R,4R)-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide
CID 7450824
2-(4-methylpiperazine-1,4-diium-1-yl)-N-[(1R,2R,4S)-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide
CID 7450843
2-(4-methylpiperazine-1,4-diium-1-yl)-N-[(1S,2R,4R)-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide
CID 7450841
2-(4-methylpiperazin-1-yl)-N-(2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide;hydrochloride
CID 171668951

Frequently Asked Questions

What is the IUPAC name of 3-ethoxypropyl-[2-oxo-2-[[(1S,2R,4R)-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]ethyl]azanium?
The IUPAC name of 3-ethoxypropyl-[2-oxo-2-[[(1S,2R,4R)-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]ethyl]azanium (CID 50937702) is 3-ethoxypropyl-[2-oxo-2-[[(1S,2R,4R)-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]ethyl]azanium.
What is the SMILES notation for 3-ethoxypropyl-[2-oxo-2-[[(1S,2R,4R)-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]ethyl]azanium?
The canonical SMILES for 3-ethoxypropyl-[2-oxo-2-[[(1S,2R,4R)-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]ethyl]azanium is CCOCCC[NH2+]CC(=O)N[C@]1(C)[C@H]2CC[C@H](C2)C1(C)C.
What is the InChIKey of 3-ethoxypropyl-[2-oxo-2-[[(1S,2R,4R)-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]ethyl]azanium?
The InChIKey is ADQOVMUDQNVVLB-JKIFEVAISA-O. The full InChI is InChI=1S/C17H32N2O2/c1-5-21-10-6-9-18-12-15(20)19-17(4)14-8-7-13(11-14)16(17,2)3/h13-14,18H,5-12H2,1-4H3,(H,19,20)/p+1/t13-,14+,17-/m1/s1.
What are the key properties of 3-ethoxypropyl-[2-oxo-2-[[(1S,2R,4R)-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]ethyl]azanium?
3-ethoxypropyl-[2-oxo-2-[[(1S,2R,4R)-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]ethyl]azanium has a molecular weight of 297.46 g/mol, XLogP of 1.31, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxypropyl-[2-oxo-2-[[(1S,2R,4R)-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]ethyl]azanium is sourced from PubChem (CID 50937702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).