(1R,14R,15R)-14-ethyl-3-methyl-16-oxa-3,13-diazatetracyclo[11.2.1.02,10.04,9]hexadeca-2(10),4,6,8-tetraen-15-amine

C16H21N3O — CID 23327272

IUPAC(1R,14R,15R)-14-ethyl-3-methyl-16-oxa-3,13-diazatetracyclo[11.2.1.02,10.04,9]hexadeca-2(10),4,6,8-tetraen-15-amine
SMILESCC[C@@H]1[C@@H](N)[C@H]2ON1CCc1c2n(C)c2ccccc12
InChIInChI=1S/C16H21N3O/c1-3-12-14(17)16-15-11(8-9-19(12)20-16)10-6-4-5-7-13(10)18(15)2/h4-7,12,14,16H,3,8-9,17H2,1-2H3/t12-,14-,16-/m1/s1
InChIKeyZUFYFLKCEDJLOY-XNRPHZJLSA-N
MW271.36 g/mol
LogP2.13
Rot. Bonds1

About (1R,14R,15R)-14-ethyl-3-methyl-16-oxa-3,13-diazatetracyclo[11.2.1.02,10.04,9]hexadeca-2(10),4,6,8-tetraen-15-amine

(1R,14R,15R)-14-ethyl-3-methyl-16-oxa-3,13-diazatetracyclo[11.2.1.02,10.04,9]hexadeca-2(10),4,6,8-tetraen-15-amine (PubChem CID 23327272) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is (1R,14R,15R)-14-ethyl-3-methyl-16-oxa-3,13-diazatetracyclo[11.2.1.02,10.04,9]hexadeca-2(10),4,6,8-tetraen-15-amine.

Molecular Properties

Compound Name(1R,14R,15R)-14-ethyl-3-methyl-16-oxa-3,13-diazatetracyclo[11.2.1.02,10.04,9]hexadeca-2(10),4,6,8-tetraen-15-amine
PubChem CID23327272
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name(1R,14R,15R)-14-ethyl-3-methyl-16-oxa-3,13-diazatetracyclo[11.2.1.02,10.04,9]hexadeca-2(10),4,6,8-tetraen-15-amine
SMILESCC[C@@H]1[C@@H](N)[C@H]2ON1CCc1c2n(C)c2ccccc12
InChIInChI=1S/C16H21N3O/c1-3-12-14(17)16-15-11(8-9-19(12)20-16)10-6-4-5-7-13(10)18(15)2/h4-7,12,14,16H,3,8-9,17H2,1-2H3/t12-,14-,16-/m1/s1
InChIKeyZUFYFLKCEDJLOY-XNRPHZJLSA-N
XLogP2.13
TPSA43.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1R,14R,15R)-14-ethyl-3-methyl-16-oxa-3,13-diazatetracyclo[11.2.1.02,10.04,9]hexadeca-2(10),4,6,8-tetraen-15-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,14R,15R)-14-ethyl-3-methyl-16-oxa-3,13-diazatetracyclo[11.2.1.02,10.04,9]hexadeca-2(10),4,6,8-tetraen-15-amine?
The IUPAC name of (1R,14R,15R)-14-ethyl-3-methyl-16-oxa-3,13-diazatetracyclo[11.2.1.02,10.04,9]hexadeca-2(10),4,6,8-tetraen-15-amine (CID 23327272) is (1R,14R,15R)-14-ethyl-3-methyl-16-oxa-3,13-diazatetracyclo[11.2.1.02,10.04,9]hexadeca-2(10),4,6,8-tetraen-15-amine.
What is the SMILES notation for (1R,14R,15R)-14-ethyl-3-methyl-16-oxa-3,13-diazatetracyclo[11.2.1.02,10.04,9]hexadeca-2(10),4,6,8-tetraen-15-amine?
The canonical SMILES for (1R,14R,15R)-14-ethyl-3-methyl-16-oxa-3,13-diazatetracyclo[11.2.1.02,10.04,9]hexadeca-2(10),4,6,8-tetraen-15-amine is CC[C@@H]1[C@@H](N)[C@H]2ON1CCc1c2n(C)c2ccccc12.
What is the InChIKey of (1R,14R,15R)-14-ethyl-3-methyl-16-oxa-3,13-diazatetracyclo[11.2.1.02,10.04,9]hexadeca-2(10),4,6,8-tetraen-15-amine?
The InChIKey is ZUFYFLKCEDJLOY-XNRPHZJLSA-N. The full InChI is InChI=1S/C16H21N3O/c1-3-12-14(17)16-15-11(8-9-19(12)20-16)10-6-4-5-7-13(10)18(15)2/h4-7,12,14,16H,3,8-9,17H2,1-2H3/t12-,14-,16-/m1/s1.
What are the key properties of (1R,14R,15R)-14-ethyl-3-methyl-16-oxa-3,13-diazatetracyclo[11.2.1.02,10.04,9]hexadeca-2(10),4,6,8-tetraen-15-amine?
(1R,14R,15R)-14-ethyl-3-methyl-16-oxa-3,13-diazatetracyclo[11.2.1.02,10.04,9]hexadeca-2(10),4,6,8-tetraen-15-amine has a molecular weight of 271.36 g/mol, XLogP of 2.13, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,14R,15R)-14-ethyl-3-methyl-16-oxa-3,13-diazatetracyclo[11.2.1.02,10.04,9]hexadeca-2(10),4,6,8-tetraen-15-amine is sourced from PubChem (CID 23327272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).