6-propan-2-yl-11-oxa-2,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-9,12-diene

C14H20N2O — CID 171590794

IUPAC6-propan-2-yl-11-oxa-2,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-9,12-diene
SMILESCC(C)C12CCCN1C1Cc3conc3C1C2
InChIInChI=1S/C14H20N2O/c1-9(2)14-4-3-5-16(14)12-6-10-8-17-15-13(10)11(12)7-14/h8-9,11-12H,3-7H2,1-2H3
InChIKeyNISMALKRCXEWBZ-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.58
Rot. Bonds1

About 6-propan-2-yl-11-oxa-2,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-9,12-diene

6-propan-2-yl-11-oxa-2,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-9,12-diene (PubChem CID 171590794) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 6-propan-2-yl-11-oxa-2,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-9,12-diene.

Molecular Properties

Compound Name6-propan-2-yl-11-oxa-2,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-9,12-diene
PubChem CID171590794
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name6-propan-2-yl-11-oxa-2,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-9,12-diene
SMILESCC(C)C12CCCN1C1Cc3conc3C1C2
InChIInChI=1S/C14H20N2O/c1-9(2)14-4-3-5-16(14)12-6-10-8-17-15-13(10)11(12)7-14/h8-9,11-12H,3-7H2,1-2H3
InChIKeyNISMALKRCXEWBZ-UHFFFAOYSA-N
XLogP2.58
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-Methyl-3-(7-methyl-7-azabicyclo[2.2.1]heptan-2-yl)-1,2-oxazole
CID 140392967
(5R)-1'-methylspiro[5,6-dihydrocyclopenta[c][1,2]oxazole-4,4'-piperidine]-5-amine
CID 146477513
(5R)-1'-tert-butylspiro[4,5-dihydrocyclopenta[c][1,2]oxazole-6,4'-piperidine]-5-amine
CID 146510445
(5R)-1'-tert-butylspiro[5,6-dihydrocyclopenta[c][1,2]oxazole-4,4'-piperidine]-5-amine
CID 146510446
(5R)-1'-methylspiro[4,5-dihydrocyclopenta[c][1,2]oxazole-6,4'-piperidine]-5-amine
CID 153548924
6-(Methoxymethyl)-11-oxa-2,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-9,12-diene
CID 164922467
11-Oxa-2,12-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-9,12-dien-6-ylmethanol
CID 164922633
Ethane;11-oxa-2,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-9,12-dien-6-ylmethanol
CID 164922741
11-Oxa-2,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-9,12-dien-6-ylmethanol
CID 164922742
Methyl 11-oxa-2,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-9,12-diene-6-carboxylate
CID 164922758
Ethane;6-(ethoxymethyl)-11-oxa-2,12-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-9,12-diene
CID 164922763
1'-Tert-butylspiro[5,6-dihydrocyclopenta[c][1,2]oxazole-4,4'-piperidine]-5-amine
CID 166881291

Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yl-11-oxa-2,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-9,12-diene?
The IUPAC name of 6-propan-2-yl-11-oxa-2,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-9,12-diene (CID 171590794) is 6-propan-2-yl-11-oxa-2,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-9,12-diene.
What is the SMILES notation for 6-propan-2-yl-11-oxa-2,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-9,12-diene?
The canonical SMILES for 6-propan-2-yl-11-oxa-2,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-9,12-diene is CC(C)C12CCCN1C1Cc3conc3C1C2.
What is the InChIKey of 6-propan-2-yl-11-oxa-2,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-9,12-diene?
The InChIKey is NISMALKRCXEWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-9(2)14-4-3-5-16(14)12-6-10-8-17-15-13(10)11(12)7-14/h8-9,11-12H,3-7H2,1-2H3.
What are the key properties of 6-propan-2-yl-11-oxa-2,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-9,12-diene?
6-propan-2-yl-11-oxa-2,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-9,12-diene has a molecular weight of 232.33 g/mol, XLogP of 2.58, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-11-oxa-2,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-9,12-diene is sourced from PubChem (CID 171590794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).