(15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-yl)methanol

C20H26N2O — CID 628233

IUPAC(15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-yl)methanol
SMILESCCC12CCCN3CCc4c(n(c5ccccc45)C(CO)C1)C32
InChIInChI=1S/C20H26N2O/c1-2-20-9-5-10-21-11-8-16-15-6-3-4-7-17(15)22(14(12-20)13-23)18(16)19(20)21/h3-4,6-7,14,19,23H,2,5,8-13H2,1H3
InChIKeyDHBSTOWLPIPNFG-UHFFFAOYSA-N
MW310.44 g/mol
LogP3.67
Rot. Bonds2

About (15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-yl)methanol

(15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-yl)methanol (PubChem CID 628233) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is (15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-yl)methanol.

Molecular Properties

Compound Name(15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-yl)methanol
PubChem CID628233
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC Name(15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-yl)methanol
SMILESCCC12CCCN3CCc4c(n(c5ccccc45)C(CO)C1)C32
InChIInChI=1S/C20H26N2O/c1-2-20-9-5-10-21-11-8-16-15-6-3-4-7-17(15)22(14(12-20)13-23)18(16)19(20)21/h3-4,6-7,14,19,23H,2,5,8-13H2,1H3
InChIKeyDHBSTOWLPIPNFG-UHFFFAOYSA-N
XLogP3.67
TPSA28.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-yl)methanol?
The IUPAC name of (15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-yl)methanol (CID 628233) is (15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-yl)methanol.
What is the SMILES notation for (15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-yl)methanol?
The canonical SMILES for (15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-yl)methanol is CCC12CCCN3CCc4c(n(c5ccccc45)C(CO)C1)C32.
What is the InChIKey of (15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-yl)methanol?
The InChIKey is DHBSTOWLPIPNFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O/c1-2-20-9-5-10-21-11-8-16-15-6-3-4-7-17(15)22(14(12-20)13-23)18(16)19(20)21/h3-4,6-7,14,19,23H,2,5,8-13H2,1H3.
What are the key properties of (15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-yl)methanol?
(15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-yl)methanol has a molecular weight of 310.44 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-yl)methanol is sourced from PubChem (CID 628233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).