6-(3-methylbutyl)-11-oxa-2,12-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-9,12-diene

C16H24N2O — CID 171590891

IUPAC6-(3-methylbutyl)-11-oxa-2,12-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-9,12-diene
SMILESCC(C)CCC12CCCN1C1Cc3nocc3C1C2
InChIInChI=1S/C16H24N2O/c1-11(2)4-6-16-5-3-7-18(16)15-8-14-13(10-19-17-14)12(15)9-16/h10-12,15H,3-9H2,1-2H3
InChIKeyWBSYHRWUMOGNTH-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.36
Rot. Bonds3

About 6-(3-methylbutyl)-11-oxa-2,12-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-9,12-diene

6-(3-methylbutyl)-11-oxa-2,12-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-9,12-diene (PubChem CID 171590891) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 6-(3-methylbutyl)-11-oxa-2,12-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-9,12-diene.

Molecular Properties

Compound Name6-(3-methylbutyl)-11-oxa-2,12-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-9,12-diene
PubChem CID171590891
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name6-(3-methylbutyl)-11-oxa-2,12-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-9,12-diene
SMILESCC(C)CCC12CCCN1C1Cc3nocc3C1C2
InChIInChI=1S/C16H24N2O/c1-11(2)4-6-16-5-3-7-18(16)15-8-14-13(10-19-17-14)12(15)9-16/h10-12,15H,3-9H2,1-2H3
InChIKeyWBSYHRWUMOGNTH-UHFFFAOYSA-N
XLogP3.36
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.36
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[5,6-dihydrocyclopenta[c][1,2]oxazole-4,4'-piperidine]-5-amine
CID 146510446
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
6-Methyl-11-oxa-2,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-9,12-diene
CID 169560020
6-(2-Methylpropyl)-11-oxa-2,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-9,12-diene
CID 169560223

Frequently Asked Questions

What is the IUPAC name of 6-(3-methylbutyl)-11-oxa-2,12-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-9,12-diene?
The IUPAC name of 6-(3-methylbutyl)-11-oxa-2,12-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-9,12-diene (CID 171590891) is 6-(3-methylbutyl)-11-oxa-2,12-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-9,12-diene.
What is the SMILES notation for 6-(3-methylbutyl)-11-oxa-2,12-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-9,12-diene?
The canonical SMILES for 6-(3-methylbutyl)-11-oxa-2,12-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-9,12-diene is CC(C)CCC12CCCN1C1Cc3nocc3C1C2.
What is the InChIKey of 6-(3-methylbutyl)-11-oxa-2,12-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-9,12-diene?
The InChIKey is WBSYHRWUMOGNTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-11(2)4-6-16-5-3-7-18(16)15-8-14-13(10-19-17-14)12(15)9-16/h10-12,15H,3-9H2,1-2H3.
What are the key properties of 6-(3-methylbutyl)-11-oxa-2,12-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-9,12-diene?
6-(3-methylbutyl)-11-oxa-2,12-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-9,12-diene has a molecular weight of 260.38 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methylbutyl)-11-oxa-2,12-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-9,12-diene is sourced from PubChem (CID 171590891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).