(6S)-7,10,10-trimethyl-4-(2-propan-2-yloxyethyl)-3-oxa-5-azatricyclo[5.2.1.02,6]dec-4-ene

C16H27NO2 — CID 135014619

IUPAC(6S)-7,10,10-trimethyl-4-(2-propan-2-yloxyethyl)-3-oxa-5-azatricyclo[5.2.1.02,6]dec-4-ene
SMILESCC(C)OCCC1=N[C@@H]2C(O1)C1CCC2(C)C1(C)C
InChIInChI=1S/C16H27NO2/c1-10(2)18-9-7-12-17-14-13(19-12)11-6-8-16(14,5)15(11,3)4/h10-11,13-14H,6-9H2,1-5H3/t11?,13?,14-,16?/m1/s1
InChIKeyCVSSNMLRZLXMKS-XUKJDLPSSA-N
MW265.40 g/mol
LogP3.42
Rot. Bonds4

About (6S)-7,10,10-trimethyl-4-(2-propan-2-yloxyethyl)-3-oxa-5-azatricyclo[5.2.1.02,6]dec-4-ene

(6S)-7,10,10-trimethyl-4-(2-propan-2-yloxyethyl)-3-oxa-5-azatricyclo[5.2.1.02,6]dec-4-ene (PubChem CID 135014619) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is (6S)-7,10,10-trimethyl-4-(2-propan-2-yloxyethyl)-3-oxa-5-azatricyclo[5.2.1.02,6]dec-4-ene.

Molecular Properties

Compound Name(6S)-7,10,10-trimethyl-4-(2-propan-2-yloxyethyl)-3-oxa-5-azatricyclo[5.2.1.02,6]dec-4-ene
PubChem CID135014619
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name(6S)-7,10,10-trimethyl-4-(2-propan-2-yloxyethyl)-3-oxa-5-azatricyclo[5.2.1.02,6]dec-4-ene
SMILESCC(C)OCCC1=N[C@@H]2C(O1)C1CCC2(C)C1(C)C
InChIInChI=1S/C16H27NO2/c1-10(2)18-9-7-12-17-14-13(19-12)11-6-8-16(14,5)15(11,3)4/h10-11,13-14H,6-9H2,1-5H3/t11?,13?,14-,16?/m1/s1
InChIKeyCVSSNMLRZLXMKS-XUKJDLPSSA-N
XLogP3.42
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6S)-7,10,10-trimethyl-4-(2-propan-2-yloxyethyl)-3-oxa-5-azatricyclo[5.2.1.02,6]dec-4-ene?
The IUPAC name of (6S)-7,10,10-trimethyl-4-(2-propan-2-yloxyethyl)-3-oxa-5-azatricyclo[5.2.1.02,6]dec-4-ene (CID 135014619) is (6S)-7,10,10-trimethyl-4-(2-propan-2-yloxyethyl)-3-oxa-5-azatricyclo[5.2.1.02,6]dec-4-ene.
What is the SMILES notation for (6S)-7,10,10-trimethyl-4-(2-propan-2-yloxyethyl)-3-oxa-5-azatricyclo[5.2.1.02,6]dec-4-ene?
The canonical SMILES for (6S)-7,10,10-trimethyl-4-(2-propan-2-yloxyethyl)-3-oxa-5-azatricyclo[5.2.1.02,6]dec-4-ene is CC(C)OCCC1=N[C@@H]2C(O1)C1CCC2(C)C1(C)C.
What is the InChIKey of (6S)-7,10,10-trimethyl-4-(2-propan-2-yloxyethyl)-3-oxa-5-azatricyclo[5.2.1.02,6]dec-4-ene?
The InChIKey is CVSSNMLRZLXMKS-XUKJDLPSSA-N. The full InChI is InChI=1S/C16H27NO2/c1-10(2)18-9-7-12-17-14-13(19-12)11-6-8-16(14,5)15(11,3)4/h10-11,13-14H,6-9H2,1-5H3/t11?,13?,14-,16?/m1/s1.
What are the key properties of (6S)-7,10,10-trimethyl-4-(2-propan-2-yloxyethyl)-3-oxa-5-azatricyclo[5.2.1.02,6]dec-4-ene?
(6S)-7,10,10-trimethyl-4-(2-propan-2-yloxyethyl)-3-oxa-5-azatricyclo[5.2.1.02,6]dec-4-ene has a molecular weight of 265.40 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-7,10,10-trimethyl-4-(2-propan-2-yloxyethyl)-3-oxa-5-azatricyclo[5.2.1.02,6]dec-4-ene is sourced from PubChem (CID 135014619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).