(4R)-9-(1-ethoxyethyl)-7-ethyl-7,9-diazatricyclo[3.3.1.02,4]nonane

C13H24N2O — CID 170255500

IUPAC(4R)-9-(1-ethoxyethyl)-7-ethyl-7,9-diazatricyclo[3.3.1.02,4]nonane
SMILESCCOC(C)N1C2CN(CC)CC1[C@@H]1CC21
InChIInChI=1S/C13H24N2O/c1-4-14-7-12-10-6-11(10)13(8-14)15(12)9(3)16-5-2/h9-13H,4-8H2,1-3H3/t9?,10-,11?,12?,13?/m1/s1
InChIKeyCFAHCMHNRXMIKC-TZESXAPASA-N
MW224.35 g/mol
LogP1.39
Rot. Bonds4

About (4R)-9-(1-ethoxyethyl)-7-ethyl-7,9-diazatricyclo[3.3.1.02,4]nonane

(4R)-9-(1-ethoxyethyl)-7-ethyl-7,9-diazatricyclo[3.3.1.02,4]nonane (PubChem CID 170255500) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is (4R)-9-(1-ethoxyethyl)-7-ethyl-7,9-diazatricyclo[3.3.1.02,4]nonane.

Molecular Properties

Compound Name(4R)-9-(1-ethoxyethyl)-7-ethyl-7,9-diazatricyclo[3.3.1.02,4]nonane
PubChem CID170255500
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name(4R)-9-(1-ethoxyethyl)-7-ethyl-7,9-diazatricyclo[3.3.1.02,4]nonane
SMILESCCOC(C)N1C2CN(CC)CC1[C@@H]1CC21
InChIInChI=1S/C13H24N2O/c1-4-14-7-12-10-6-11(10)13(8-14)15(12)9(3)16-5-2/h9-13H,4-8H2,1-3H3/t9?,10-,11?,12?,13?/m1/s1
InChIKeyCFAHCMHNRXMIKC-TZESXAPASA-N
XLogP1.39
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-9-(1-ethoxyethyl)-7-ethyl-7,9-diazatricyclo[3.3.1.02,4]nonane?
The IUPAC name of (4R)-9-(1-ethoxyethyl)-7-ethyl-7,9-diazatricyclo[3.3.1.02,4]nonane (CID 170255500) is (4R)-9-(1-ethoxyethyl)-7-ethyl-7,9-diazatricyclo[3.3.1.02,4]nonane.
What is the SMILES notation for (4R)-9-(1-ethoxyethyl)-7-ethyl-7,9-diazatricyclo[3.3.1.02,4]nonane?
The canonical SMILES for (4R)-9-(1-ethoxyethyl)-7-ethyl-7,9-diazatricyclo[3.3.1.02,4]nonane is CCOC(C)N1C2CN(CC)CC1[C@@H]1CC21.
What is the InChIKey of (4R)-9-(1-ethoxyethyl)-7-ethyl-7,9-diazatricyclo[3.3.1.02,4]nonane?
The InChIKey is CFAHCMHNRXMIKC-TZESXAPASA-N. The full InChI is InChI=1S/C13H24N2O/c1-4-14-7-12-10-6-11(10)13(8-14)15(12)9(3)16-5-2/h9-13H,4-8H2,1-3H3/t9?,10-,11?,12?,13?/m1/s1.
What are the key properties of (4R)-9-(1-ethoxyethyl)-7-ethyl-7,9-diazatricyclo[3.3.1.02,4]nonane?
(4R)-9-(1-ethoxyethyl)-7-ethyl-7,9-diazatricyclo[3.3.1.02,4]nonane has a molecular weight of 224.35 g/mol, XLogP of 1.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-9-(1-ethoxyethyl)-7-ethyl-7,9-diazatricyclo[3.3.1.02,4]nonane is sourced from PubChem (CID 170255500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).