(1R)-1-ethyl-10,11-dimethyl-10-azatetracyclo[10.2.2.02,7.09,14]hexadeca-2,4,6,15-tetraene;hydrochloride

C19H26ClN — CID 70590551

IUPAC(1R)-1-ethyl-10,11-dimethyl-10-azatetracyclo[10.2.2.02,7.09,14]hexadeca-2,4,6,15-tetraene;hydrochloride
SMILESCC[C@@]12C=CC3CC1C(Cc1ccccc12)N(C)C3C.Cl
InChIInChI=1S/C19H25N.ClH/c1-4-19-10-9-14-11-17(19)18(20(3)13(14)2)12-15-7-5-6-8-16(15)19;/h5-10,13-14,17-18H,4,11-12H2,1-3H3;1H/t13?,14?,17?,18?,19-;/m0./s1
InChIKeyLOGHTHMMUVWQCD-VSLRYQBXSA-N
MW303.88 g/mol
LogP4.21
Rot. Bonds1

About (1R)-1-ethyl-10,11-dimethyl-10-azatetracyclo[10.2.2.02,7.09,14]hexadeca-2,4,6,15-tetraene;hydrochloride

(1R)-1-ethyl-10,11-dimethyl-10-azatetracyclo[10.2.2.02,7.09,14]hexadeca-2,4,6,15-tetraene;hydrochloride (PubChem CID 70590551) has the molecular formula C19H26ClN and a molecular weight of 303.88 g/mol. Its IUPAC name is (1R)-1-ethyl-10,11-dimethyl-10-azatetracyclo[10.2.2.02,7.09,14]hexadeca-2,4,6,15-tetraene;hydrochloride.

Molecular Properties

Compound Name(1R)-1-ethyl-10,11-dimethyl-10-azatetracyclo[10.2.2.02,7.09,14]hexadeca-2,4,6,15-tetraene;hydrochloride
PubChem CID70590551
Molecular FormulaC19H26ClN
Molecular Weight303.88 g/mol
Exact Mass303.18
IUPAC Name(1R)-1-ethyl-10,11-dimethyl-10-azatetracyclo[10.2.2.02,7.09,14]hexadeca-2,4,6,15-tetraene;hydrochloride
SMILESCC[C@@]12C=CC3CC1C(Cc1ccccc12)N(C)C3C.Cl
InChIInChI=1S/C19H25N.ClH/c1-4-19-10-9-14-11-17(19)18(20(3)13(14)2)12-15-7-5-6-8-16(15)19;/h5-10,13-14,17-18H,4,11-12H2,1-3H3;1H/t13?,14?,17?,18?,19-;/m0./s1
InChIKeyLOGHTHMMUVWQCD-VSLRYQBXSA-N
XLogP4.21
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.88
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-ethyl-10,11-dimethyl-10-azatetracyclo[10.2.2.02,7.09,14]hexadeca-2,4,6,15-tetraene;hydrochloride?
The IUPAC name of (1R)-1-ethyl-10,11-dimethyl-10-azatetracyclo[10.2.2.02,7.09,14]hexadeca-2,4,6,15-tetraene;hydrochloride (CID 70590551) is (1R)-1-ethyl-10,11-dimethyl-10-azatetracyclo[10.2.2.02,7.09,14]hexadeca-2,4,6,15-tetraene;hydrochloride.
What is the SMILES notation for (1R)-1-ethyl-10,11-dimethyl-10-azatetracyclo[10.2.2.02,7.09,14]hexadeca-2,4,6,15-tetraene;hydrochloride?
The canonical SMILES for (1R)-1-ethyl-10,11-dimethyl-10-azatetracyclo[10.2.2.02,7.09,14]hexadeca-2,4,6,15-tetraene;hydrochloride is CC[C@@]12C=CC3CC1C(Cc1ccccc12)N(C)C3C.Cl.
What is the InChIKey of (1R)-1-ethyl-10,11-dimethyl-10-azatetracyclo[10.2.2.02,7.09,14]hexadeca-2,4,6,15-tetraene;hydrochloride?
The InChIKey is LOGHTHMMUVWQCD-VSLRYQBXSA-N. The full InChI is InChI=1S/C19H25N.ClH/c1-4-19-10-9-14-11-17(19)18(20(3)13(14)2)12-15-7-5-6-8-16(15)19;/h5-10,13-14,17-18H,4,11-12H2,1-3H3;1H/t13?,14?,17?,18?,19-;/m0./s1.
What are the key properties of (1R)-1-ethyl-10,11-dimethyl-10-azatetracyclo[10.2.2.02,7.09,14]hexadeca-2,4,6,15-tetraene;hydrochloride?
(1R)-1-ethyl-10,11-dimethyl-10-azatetracyclo[10.2.2.02,7.09,14]hexadeca-2,4,6,15-tetraene;hydrochloride has a molecular weight of 303.88 g/mol, XLogP of 4.21, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-ethyl-10,11-dimethyl-10-azatetracyclo[10.2.2.02,7.09,14]hexadeca-2,4,6,15-tetraene;hydrochloride is sourced from PubChem (CID 70590551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).