(1R)-2-methyl-2,10-diazapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-5(18),6,8(17),9,11,13,15-heptaene

C18H16N2 — CID 10355252

IUPAC(1R)-2-methyl-2,10-diazapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-5(18),6,8(17),9,11,13,15-heptaene
SMILESCN1CCc2ccc3cnc4cccc5c4c3c2[C@H]1C5
InChIInChI=1S/C18H16N2/c1-20-8-7-11-5-6-13-10-19-14-4-2-3-12-9-15(20)17(11)18(13)16(12)14/h2-6,10,15H,7-9H2,1H3/t15-/m1/s1
InChIKeyXKOOJEWWQSZWFX-OAHLLOKOSA-N
MW260.34 g/mol
LogP3.47
Rot. Bonds

About (1R)-2-methyl-2,10-diazapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-5(18),6,8(17),9,11,13,15-heptaene

(1R)-2-methyl-2,10-diazapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-5(18),6,8(17),9,11,13,15-heptaene (PubChem CID 10355252) has the molecular formula C18H16N2 and a molecular weight of 260.34 g/mol. Its IUPAC name is (1R)-2-methyl-2,10-diazapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-5(18),6,8(17),9,11,13,15-heptaene.

Molecular Properties

Compound Name(1R)-2-methyl-2,10-diazapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-5(18),6,8(17),9,11,13,15-heptaene
PubChem CID10355252
Molecular FormulaC18H16N2
Molecular Weight260.34 g/mol
Exact Mass260.13
IUPAC Name(1R)-2-methyl-2,10-diazapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-5(18),6,8(17),9,11,13,15-heptaene
SMILESCN1CCc2ccc3cnc4cccc5c4c3c2[C@H]1C5
InChIInChI=1S/C18H16N2/c1-20-8-7-11-5-6-13-10-19-14-4-2-3-12-9-15(20)17(11)18(13)16(12)14/h2-6,10,15H,7-9H2,1H3/t15-/m1/s1
InChIKeyXKOOJEWWQSZWFX-OAHLLOKOSA-N
XLogP3.47
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R)-2-methyl-2,10-diazapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-5(18),6,8(17),9,11,13,15-heptaene?
The IUPAC name of (1R)-2-methyl-2,10-diazapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-5(18),6,8(17),9,11,13,15-heptaene (CID 10355252) is (1R)-2-methyl-2,10-diazapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-5(18),6,8(17),9,11,13,15-heptaene.
What is the SMILES notation for (1R)-2-methyl-2,10-diazapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-5(18),6,8(17),9,11,13,15-heptaene?
The canonical SMILES for (1R)-2-methyl-2,10-diazapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-5(18),6,8(17),9,11,13,15-heptaene is CN1CCc2ccc3cnc4cccc5c4c3c2[C@H]1C5.
What is the InChIKey of (1R)-2-methyl-2,10-diazapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-5(18),6,8(17),9,11,13,15-heptaene?
The InChIKey is XKOOJEWWQSZWFX-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H16N2/c1-20-8-7-11-5-6-13-10-19-14-4-2-3-12-9-15(20)17(11)18(13)16(12)14/h2-6,10,15H,7-9H2,1H3/t15-/m1/s1.
What are the key properties of (1R)-2-methyl-2,10-diazapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-5(18),6,8(17),9,11,13,15-heptaene?
(1R)-2-methyl-2,10-diazapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-5(18),6,8(17),9,11,13,15-heptaene has a molecular weight of 260.34 g/mol, XLogP of 3.47, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-methyl-2,10-diazapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-5(18),6,8(17),9,11,13,15-heptaene is sourced from PubChem (CID 10355252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).