(1S,5S)-9-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decane

C15H26N4O2 — CID 166613258

IUPAC(1S,5S)-9-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decane
SMILESCOCCn1ccnc1CN1C[C@H]2COC[C@@H]1CN(C)C2
InChIInChI=1S/C15H26N4O2/c1-17-7-13-8-19(14(9-17)12-21-11-13)10-15-16-3-4-18(15)5-6-20-2/h3-4,13-14H,5-12H2,1-2H3/t13-,14-/m0/s1
InChIKeyDIMTZGDKQKYYBU-KBPBESRZSA-N
MW294.40 g/mol
LogP0.29
Rot. Bonds5

About (1S,5S)-9-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decane

(1S,5S)-9-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decane (PubChem CID 166613258) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is (1S,5S)-9-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decane.

Molecular Properties

Compound Name(1S,5S)-9-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decane
PubChem CID166613258
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name(1S,5S)-9-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decane
SMILESCOCCn1ccnc1CN1C[C@H]2COC[C@@H]1CN(C)C2
InChIInChI=1S/C15H26N4O2/c1-17-7-13-8-19(14(9-17)12-21-11-13)10-15-16-3-4-18(15)5-6-20-2/h3-4,13-14H,5-12H2,1-2H3/t13-,14-/m0/s1
InChIKeyDIMTZGDKQKYYBU-KBPBESRZSA-N
XLogP0.29
TPSA42.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 50.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1S,5S)-9-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decane?
The IUPAC name of (1S,5S)-9-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decane (CID 166613258) is (1S,5S)-9-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decane.
What is the SMILES notation for (1S,5S)-9-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decane?
The canonical SMILES for (1S,5S)-9-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decane is COCCn1ccnc1CN1C[C@H]2COC[C@@H]1CN(C)C2.
What is the InChIKey of (1S,5S)-9-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decane?
The InChIKey is DIMTZGDKQKYYBU-KBPBESRZSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-17-7-13-8-19(14(9-17)12-21-11-13)10-15-16-3-4-18(15)5-6-20-2/h3-4,13-14H,5-12H2,1-2H3/t13-,14-/m0/s1.
What are the key properties of (1S,5S)-9-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decane?
(1S,5S)-9-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decane has a molecular weight of 294.40 g/mol, XLogP of 0.29, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5S)-9-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decane is sourced from PubChem (CID 166613258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).