(1R,2S,4R,6R,9S,14R,16S)-6,10,10-trimethyl-3,19-dioxa-11-azapentacyclo[14.2.1.01,14.02,11.04,9]nonadec-17-ene

C19H29NO2 — CID 10638181

IUPAC(1R,2S,4R,6R,9S,14R,16S)-6,10,10-trimethyl-3,19-dioxa-11-azapentacyclo[14.2.1.01,14.02,11.04,9]nonadec-17-ene
SMILESC[C@@H]1CC[C@@H]2[C@@H](C1)O[C@@H]1N(CC[C@@H]3C[C@H]4C=C[C@]31O4)C2(C)C
InChIInChI=1S/C19H29NO2/c1-12-4-5-15-16(10-12)21-17-19-8-6-14(22-19)11-13(19)7-9-20(17)18(15,2)3/h6,8,12-17H,4-5,7,9-11H2,1-3H3/t12-,13-,14-,15-,16-,17+,19+/m1/s1
InChIKeySJXKYFZASNWYNP-VQMPBXTASA-N
MW303.45 g/mol
LogP3.35
Rot. Bonds

About (1R,2S,4R,6R,9S,14R,16S)-6,10,10-trimethyl-3,19-dioxa-11-azapentacyclo[14.2.1.01,14.02,11.04,9]nonadec-17-ene

(1R,2S,4R,6R,9S,14R,16S)-6,10,10-trimethyl-3,19-dioxa-11-azapentacyclo[14.2.1.01,14.02,11.04,9]nonadec-17-ene (PubChem CID 10638181) has the molecular formula C19H29NO2 and a molecular weight of 303.45 g/mol. Its IUPAC name is (1R,2S,4R,6R,9S,14R,16S)-6,10,10-trimethyl-3,19-dioxa-11-azapentacyclo[14.2.1.01,14.02,11.04,9]nonadec-17-ene.

Molecular Properties

Compound Name(1R,2S,4R,6R,9S,14R,16S)-6,10,10-trimethyl-3,19-dioxa-11-azapentacyclo[14.2.1.01,14.02,11.04,9]nonadec-17-ene
PubChem CID10638181
Molecular FormulaC19H29NO2
Molecular Weight303.45 g/mol
Exact Mass303.22
IUPAC Name(1R,2S,4R,6R,9S,14R,16S)-6,10,10-trimethyl-3,19-dioxa-11-azapentacyclo[14.2.1.01,14.02,11.04,9]nonadec-17-ene
SMILESC[C@@H]1CC[C@@H]2[C@@H](C1)O[C@@H]1N(CC[C@@H]3C[C@H]4C=C[C@]31O4)C2(C)C
InChIInChI=1S/C19H29NO2/c1-12-4-5-15-16(10-12)21-17-19-8-6-14(22-19)11-13(19)7-9-20(17)18(15,2)3/h6,8,12-17H,4-5,7,9-11H2,1-3H3/t12-,13-,14-,15-,16-,17+,19+/m1/s1
InChIKeySJXKYFZASNWYNP-VQMPBXTASA-N
XLogP3.35
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1R,2S,4R,6R,9S,14R,16S)-6,10,10-trimethyl-3,19-dioxa-11-azapentacyclo[14.2.1.01,14.02,11.04,9]nonadec-17-ene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,4R,6R,9S,14R,16S)-6,10,10-trimethyl-3,19-dioxa-11-azapentacyclo[14.2.1.01,14.02,11.04,9]nonadec-17-ene?
The IUPAC name of (1R,2S,4R,6R,9S,14R,16S)-6,10,10-trimethyl-3,19-dioxa-11-azapentacyclo[14.2.1.01,14.02,11.04,9]nonadec-17-ene (CID 10638181) is (1R,2S,4R,6R,9S,14R,16S)-6,10,10-trimethyl-3,19-dioxa-11-azapentacyclo[14.2.1.01,14.02,11.04,9]nonadec-17-ene.
What is the SMILES notation for (1R,2S,4R,6R,9S,14R,16S)-6,10,10-trimethyl-3,19-dioxa-11-azapentacyclo[14.2.1.01,14.02,11.04,9]nonadec-17-ene?
The canonical SMILES for (1R,2S,4R,6R,9S,14R,16S)-6,10,10-trimethyl-3,19-dioxa-11-azapentacyclo[14.2.1.01,14.02,11.04,9]nonadec-17-ene is C[C@@H]1CC[C@@H]2[C@@H](C1)O[C@@H]1N(CC[C@@H]3C[C@H]4C=C[C@]31O4)C2(C)C.
What is the InChIKey of (1R,2S,4R,6R,9S,14R,16S)-6,10,10-trimethyl-3,19-dioxa-11-azapentacyclo[14.2.1.01,14.02,11.04,9]nonadec-17-ene?
The InChIKey is SJXKYFZASNWYNP-VQMPBXTASA-N. The full InChI is InChI=1S/C19H29NO2/c1-12-4-5-15-16(10-12)21-17-19-8-6-14(22-19)11-13(19)7-9-20(17)18(15,2)3/h6,8,12-17H,4-5,7,9-11H2,1-3H3/t12-,13-,14-,15-,16-,17+,19+/m1/s1.
What are the key properties of (1R,2S,4R,6R,9S,14R,16S)-6,10,10-trimethyl-3,19-dioxa-11-azapentacyclo[14.2.1.01,14.02,11.04,9]nonadec-17-ene?
(1R,2S,4R,6R,9S,14R,16S)-6,10,10-trimethyl-3,19-dioxa-11-azapentacyclo[14.2.1.01,14.02,11.04,9]nonadec-17-ene has a molecular weight of 303.45 g/mol, XLogP of 3.35, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,4R,6R,9S,14R,16S)-6,10,10-trimethyl-3,19-dioxa-11-azapentacyclo[14.2.1.01,14.02,11.04,9]nonadec-17-ene is sourced from PubChem (CID 10638181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).