(1S,2R,5S,6R,14R,16R)-N-ethyl-6-methyl-5-naphthalen-2-yl-N-propan-2-yl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-8,10-dien-14-amine

C34H43NO — CID 126502005

IUPAC(1S,2R,5S,6R,14R,16R)-N-ethyl-6-methyl-5-naphthalen-2-yl-N-propan-2-yl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-8,10-dien-14-amine
SMILESCCN(C(C)C)[C@@H]1CCC2=CC3=CC[C@]4(C)[C@@H](c5ccc6ccccc6c5)CC[C@H]4[C@@]34CC[C@]2(C1)O4
InChIInChI=1S/C34H43NO/c1-5-35(23(2)3)29-13-12-27-21-28-16-17-32(4)30(26-11-10-24-8-6-7-9-25(24)20-26)14-15-31(32)34(28)19-18-33(27,22-29)36-34/h6-11,16,20-21,23,29-31H,5,12-15,17-19,22H2,1-4H3/t29-,30-,31-,32-,33-,34-/m1/s1
InChIKeyQZQYSOMWVBIHGM-GOSYQUBLSA-N
MW481.72 g/mol
LogP8.18
Rot. Bonds4

About (1S,2R,5S,6R,14R,16R)-N-ethyl-6-methyl-5-naphthalen-2-yl-N-propan-2-yl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-8,10-dien-14-amine

(1S,2R,5S,6R,14R,16R)-N-ethyl-6-methyl-5-naphthalen-2-yl-N-propan-2-yl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-8,10-dien-14-amine (PubChem CID 126502005) has the molecular formula C34H43NO and a molecular weight of 481.72 g/mol. Its IUPAC name is (1S,2R,5S,6R,14R,16R)-N-ethyl-6-methyl-5-naphthalen-2-yl-N-propan-2-yl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-8,10-dien-14-amine.

Molecular Properties

Compound Name(1S,2R,5S,6R,14R,16R)-N-ethyl-6-methyl-5-naphthalen-2-yl-N-propan-2-yl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-8,10-dien-14-amine
PubChem CID126502005
Molecular FormulaC34H43NO
Molecular Weight481.72 g/mol
Exact Mass481.33
IUPAC Name(1S,2R,5S,6R,14R,16R)-N-ethyl-6-methyl-5-naphthalen-2-yl-N-propan-2-yl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-8,10-dien-14-amine
SMILESCCN(C(C)C)[C@@H]1CCC2=CC3=CC[C@]4(C)[C@@H](c5ccc6ccccc6c5)CC[C@H]4[C@@]34CC[C@]2(C1)O4
InChIInChI=1S/C34H43NO/c1-5-35(23(2)3)29-13-12-27-21-28-16-17-32(4)30(26-11-10-24-8-6-7-9-25(24)20-26)14-15-31(32)34(28)19-18-33(27,22-29)36-34/h6-11,16,20-21,23,29-31H,5,12-15,17-19,22H2,1-4H3/t29-,30-,31-,32-,33-,34-/m1/s1
InChIKeyQZQYSOMWVBIHGM-GOSYQUBLSA-N
XLogP8.18
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.72
LogP ≤ 58.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1S,2R,5S,6R,14R,16R)-N-ethyl-6-methyl-5-naphthalen-2-yl-N-propan-2-yl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-8,10-dien-14-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S,2R,5S,6R,14R,16R)-N-ethyl-6-methyl-5-naphthalen-2-yl-N-propan-2-yl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-8,10-dien-14-amine?
The IUPAC name of (1S,2R,5S,6R,14R,16R)-N-ethyl-6-methyl-5-naphthalen-2-yl-N-propan-2-yl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-8,10-dien-14-amine (CID 126502005) is (1S,2R,5S,6R,14R,16R)-N-ethyl-6-methyl-5-naphthalen-2-yl-N-propan-2-yl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-8,10-dien-14-amine.
What is the SMILES notation for (1S,2R,5S,6R,14R,16R)-N-ethyl-6-methyl-5-naphthalen-2-yl-N-propan-2-yl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-8,10-dien-14-amine?
The canonical SMILES for (1S,2R,5S,6R,14R,16R)-N-ethyl-6-methyl-5-naphthalen-2-yl-N-propan-2-yl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-8,10-dien-14-amine is CCN(C(C)C)[C@@H]1CCC2=CC3=CC[C@]4(C)[C@@H](c5ccc6ccccc6c5)CC[C@H]4[C@@]34CC[C@]2(C1)O4.
What is the InChIKey of (1S,2R,5S,6R,14R,16R)-N-ethyl-6-methyl-5-naphthalen-2-yl-N-propan-2-yl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-8,10-dien-14-amine?
The InChIKey is QZQYSOMWVBIHGM-GOSYQUBLSA-N. The full InChI is InChI=1S/C34H43NO/c1-5-35(23(2)3)29-13-12-27-21-28-16-17-32(4)30(26-11-10-24-8-6-7-9-25(24)20-26)14-15-31(32)34(28)19-18-33(27,22-29)36-34/h6-11,16,20-21,23,29-31H,5,12-15,17-19,22H2,1-4H3/t29-,30-,31-,32-,33-,34-/m1/s1.
What are the key properties of (1S,2R,5S,6R,14R,16R)-N-ethyl-6-methyl-5-naphthalen-2-yl-N-propan-2-yl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-8,10-dien-14-amine?
(1S,2R,5S,6R,14R,16R)-N-ethyl-6-methyl-5-naphthalen-2-yl-N-propan-2-yl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-8,10-dien-14-amine has a molecular weight of 481.72 g/mol, XLogP of 8.18, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,5S,6R,14R,16R)-N-ethyl-6-methyl-5-naphthalen-2-yl-N-propan-2-yl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-8,10-dien-14-amine is sourced from PubChem (CID 126502005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).