2-oxa-11-azatricyclo[10.7.1.13,10]henicosane

C19H35NO — CID 137426796

IUPAC2-oxa-11-azatricyclo[10.7.1.13,10]henicosane
SMILESC1CCCC2CC(CCC1)OC1CCCCCCC(C1)N2
InChIInChI=1S/C19H35NO/c1-2-6-10-16-14-18(12-8-3-1)21-19-13-9-5-4-7-11-17(15-19)20-16/h16-20H,1-15H2
InChIKeyTYSKNXNYUJVNSA-UHFFFAOYSA-N
MW293.50 g/mol
LogP4.96
Rot. Bonds

About 2-oxa-11-azatricyclo[10.7.1.13,10]henicosane

2-oxa-11-azatricyclo[10.7.1.13,10]henicosane (PubChem CID 137426796) has the molecular formula C19H35NO and a molecular weight of 293.50 g/mol. Its IUPAC name is 2-oxa-11-azatricyclo[10.7.1.13,10]henicosane.

Molecular Properties

Compound Name2-oxa-11-azatricyclo[10.7.1.13,10]henicosane
PubChem CID137426796
Molecular FormulaC19H35NO
Molecular Weight293.50 g/mol
Exact Mass293.27
IUPAC Name2-oxa-11-azatricyclo[10.7.1.13,10]henicosane
SMILESC1CCCC2CC(CCC1)OC1CCCCCCC(C1)N2
InChIInChI=1S/C19H35NO/c1-2-6-10-16-14-18(12-8-3-1)21-19-13-9-5-4-7-11-17(15-19)20-16/h16-20H,1-15H2
InChIKeyTYSKNXNYUJVNSA-UHFFFAOYSA-N
XLogP4.96
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.50
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 118210101
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CID 169176721
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2,2-dimethyl-2λ4-thia-11-azatricyclo[10.7.2.13,10]docosane
CID 134213239
2-azatricyclo[10.7.1.13,10]henicosan-11-one
CID 134213240
31,32,33,34,35,36-hexazaheptacyclo[26.2.1.13,6.18,11.113,16.118,21.123,26]hexatriacontane
CID 90736283
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CID 135395892
3-bromo-9-azabicyclo[3.3.1]nonane
CID 171936273
9-azabicyclo[3.3.1]nonane-3-carbonitrile;hydrochloride
CID 91992729
40,41,42,43,44-pentazanonacyclo[31.6.1.13,10.112,16.118,25.127,31.04,9.019,24.034,39]tetratetracontane
CID 173466045
3-(cyclohexylmethyl)-8-azabicyclo[3.2.1]octane;hydrochloride
CID 126844570
10-methyl-2-oxa-10-azatricyclo[9.6.2.13,9]icosane
CID 134213203

Frequently Asked Questions

What is the IUPAC name of 2-oxa-11-azatricyclo[10.7.1.13,10]henicosane?
The IUPAC name of 2-oxa-11-azatricyclo[10.7.1.13,10]henicosane (CID 137426796) is 2-oxa-11-azatricyclo[10.7.1.13,10]henicosane.
What is the SMILES notation for 2-oxa-11-azatricyclo[10.7.1.13,10]henicosane?
The canonical SMILES for 2-oxa-11-azatricyclo[10.7.1.13,10]henicosane is C1CCCC2CC(CCC1)OC1CCCCCCC(C1)N2.
What is the InChIKey of 2-oxa-11-azatricyclo[10.7.1.13,10]henicosane?
The InChIKey is TYSKNXNYUJVNSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35NO/c1-2-6-10-16-14-18(12-8-3-1)21-19-13-9-5-4-7-11-17(15-19)20-16/h16-20H,1-15H2.
What are the key properties of 2-oxa-11-azatricyclo[10.7.1.13,10]henicosane?
2-oxa-11-azatricyclo[10.7.1.13,10]henicosane has a molecular weight of 293.50 g/mol, XLogP of 4.96, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxa-11-azatricyclo[10.7.1.13,10]henicosane is sourced from PubChem (CID 137426796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).