(2R,7R)-6-butyl-3-oxa-6,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),9,12,14-tetraene

C17H22N2O — CID 22813387

IUPAC(2R,7R)-6-butyl-3-oxa-6,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),9,12,14-tetraene
SMILESCCCCN1CCO[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21
InChIInChI=1S/C17H22N2O/c1-2-3-7-19-8-9-20-17-13-5-4-6-14-16(13)12(11-18-14)10-15(17)19/h4-6,11,15,17-18H,2-3,7-10H2,1H3/t15-,17-/m1/s1
InChIKeyYJAURZZMQJKPEW-NVXWUHKLSA-N
MW270.38 g/mol
LogP3.27
Rot. Bonds3

About (2R,7R)-6-butyl-3-oxa-6,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),9,12,14-tetraene

(2R,7R)-6-butyl-3-oxa-6,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),9,12,14-tetraene (PubChem CID 22813387) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is (2R,7R)-6-butyl-3-oxa-6,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),9,12,14-tetraene.

Molecular Properties

Compound Name(2R,7R)-6-butyl-3-oxa-6,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),9,12,14-tetraene
PubChem CID22813387
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name(2R,7R)-6-butyl-3-oxa-6,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),9,12,14-tetraene
SMILESCCCCN1CCO[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21
InChIInChI=1S/C17H22N2O/c1-2-3-7-19-8-9-20-17-13-5-4-6-14-16(13)12(11-18-14)10-15(17)19/h4-6,11,15,17-18H,2-3,7-10H2,1H3/t15-,17-/m1/s1
InChIKeyYJAURZZMQJKPEW-NVXWUHKLSA-N
XLogP3.27
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,7R)-6-butyl-3-oxa-6,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),9,12,14-tetraene?
The IUPAC name of (2R,7R)-6-butyl-3-oxa-6,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),9,12,14-tetraene (CID 22813387) is (2R,7R)-6-butyl-3-oxa-6,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),9,12,14-tetraene.
What is the SMILES notation for (2R,7R)-6-butyl-3-oxa-6,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),9,12,14-tetraene?
The canonical SMILES for (2R,7R)-6-butyl-3-oxa-6,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),9,12,14-tetraene is CCCCN1CCO[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21.
What is the InChIKey of (2R,7R)-6-butyl-3-oxa-6,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),9,12,14-tetraene?
The InChIKey is YJAURZZMQJKPEW-NVXWUHKLSA-N. The full InChI is InChI=1S/C17H22N2O/c1-2-3-7-19-8-9-20-17-13-5-4-6-14-16(13)12(11-18-14)10-15(17)19/h4-6,11,15,17-18H,2-3,7-10H2,1H3/t15-,17-/m1/s1.
What are the key properties of (2R,7R)-6-butyl-3-oxa-6,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),9,12,14-tetraene?
(2R,7R)-6-butyl-3-oxa-6,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),9,12,14-tetraene has a molecular weight of 270.38 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,7R)-6-butyl-3-oxa-6,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),9,12,14-tetraene is sourced from PubChem (CID 22813387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).