(10S,14S)-14-amino-10-propan-2-yl-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-9-one

C20H25N3O — CID 118236061

IUPAC(10S,14S)-14-amino-10-propan-2-yl-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-9-one
SMILESCC(C)[C@@H]1CCC[C@H](N)c2cc(ccn2)-c2ccccc2NC1=O
InChIInChI=1S/C20H25N3O/c1-13(2)15-7-5-8-17(21)19-12-14(10-11-22-19)16-6-3-4-9-18(16)23-20(15)24/h3-4,6,9-13,15,17H,5,7-8,21H2,1-2H3,(H,23,24)/t15-,17-/m0/s1
InChIKeyPCJXFFNCEAEDOM-RDJZCZTQSA-N
MW323.44 g/mol
LogP4.14
Rot. Bonds1

About (10S,14S)-14-amino-10-propan-2-yl-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-9-one

(10S,14S)-14-amino-10-propan-2-yl-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-9-one (PubChem CID 118236061) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is (10S,14S)-14-amino-10-propan-2-yl-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-9-one.

Molecular Properties

Compound Name(10S,14S)-14-amino-10-propan-2-yl-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-9-one
PubChem CID118236061
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name(10S,14S)-14-amino-10-propan-2-yl-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-9-one
SMILESCC(C)[C@@H]1CCC[C@H](N)c2cc(ccn2)-c2ccccc2NC1=O
InChIInChI=1S/C20H25N3O/c1-13(2)15-7-5-8-17(21)19-12-14(10-11-22-19)16-6-3-4-9-18(16)23-20(15)24/h3-4,6,9-13,15,17H,5,7-8,21H2,1-2H3,(H,23,24)/t15-,17-/m0/s1
InChIKeyPCJXFFNCEAEDOM-RDJZCZTQSA-N
XLogP4.14
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (10S,14S)-14-amino-10-propan-2-yl-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-9-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (10S,14S)-14-amino-10-propan-2-yl-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-9-one?
The IUPAC name of (10S,14S)-14-amino-10-propan-2-yl-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-9-one (CID 118236061) is (10S,14S)-14-amino-10-propan-2-yl-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-9-one.
What is the SMILES notation for (10S,14S)-14-amino-10-propan-2-yl-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-9-one?
The canonical SMILES for (10S,14S)-14-amino-10-propan-2-yl-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-9-one is CC(C)[C@@H]1CCC[C@H](N)c2cc(ccn2)-c2ccccc2NC1=O.
What is the InChIKey of (10S,14S)-14-amino-10-propan-2-yl-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-9-one?
The InChIKey is PCJXFFNCEAEDOM-RDJZCZTQSA-N. The full InChI is InChI=1S/C20H25N3O/c1-13(2)15-7-5-8-17(21)19-12-14(10-11-22-19)16-6-3-4-9-18(16)23-20(15)24/h3-4,6,9-13,15,17H,5,7-8,21H2,1-2H3,(H,23,24)/t15-,17-/m0/s1.
What are the key properties of (10S,14S)-14-amino-10-propan-2-yl-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-9-one?
(10S,14S)-14-amino-10-propan-2-yl-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-9-one has a molecular weight of 323.44 g/mol, XLogP of 4.14, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (10S,14S)-14-amino-10-propan-2-yl-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-9-one is sourced from PubChem (CID 118236061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).