(9R,10R)-5-methoxy-8,11-dimethyl-N-propyl-11-azatetracyclo[6.4.1.01,10.02,7]trideca-2(7),3,5-trien-9-amine

C18H26N2O — CID 144958107

IUPAC(9R,10R)-5-methoxy-8,11-dimethyl-N-propyl-11-azatetracyclo[6.4.1.01,10.02,7]trideca-2(7),3,5-trien-9-amine
SMILESCCCN[C@H]1[C@@H]2N(C)CC23CC1(C)c1cc(OC)ccc13
InChIInChI=1S/C18H26N2O/c1-5-8-19-15-16-18(11-20(16)3)10-17(15,2)14-9-12(21-4)6-7-13(14)18/h6-7,9,15-16,19H,5,8,10-11H2,1-4H3/t15-,16-,17?,18?/m0/s1
InChIKeyUMOCCJAKKSNSMJ-VYMRPNJYSA-N
MW286.42 g/mol
LogP2.29
Rot. Bonds4

About (9R,10R)-5-methoxy-8,11-dimethyl-N-propyl-11-azatetracyclo[6.4.1.01,10.02,7]trideca-2(7),3,5-trien-9-amine

(9R,10R)-5-methoxy-8,11-dimethyl-N-propyl-11-azatetracyclo[6.4.1.01,10.02,7]trideca-2(7),3,5-trien-9-amine (PubChem CID 144958107) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is (9R,10R)-5-methoxy-8,11-dimethyl-N-propyl-11-azatetracyclo[6.4.1.01,10.02,7]trideca-2(7),3,5-trien-9-amine.

Molecular Properties

Compound Name(9R,10R)-5-methoxy-8,11-dimethyl-N-propyl-11-azatetracyclo[6.4.1.01,10.02,7]trideca-2(7),3,5-trien-9-amine
PubChem CID144958107
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name(9R,10R)-5-methoxy-8,11-dimethyl-N-propyl-11-azatetracyclo[6.4.1.01,10.02,7]trideca-2(7),3,5-trien-9-amine
SMILESCCCN[C@H]1[C@@H]2N(C)CC23CC1(C)c1cc(OC)ccc13
InChIInChI=1S/C18H26N2O/c1-5-8-19-15-16-18(11-20(16)3)10-17(15,2)14-9-12(21-4)6-7-13(14)18/h6-7,9,15-16,19H,5,8,10-11H2,1-4H3/t15-,16-,17?,18?/m0/s1
InChIKeyUMOCCJAKKSNSMJ-VYMRPNJYSA-N
XLogP2.29
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (9R,10R)-5-methoxy-8,11-dimethyl-N-propyl-11-azatetracyclo[6.4.1.01,10.02,7]trideca-2(7),3,5-trien-9-amine with MolForge

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Launch Full Analysis

Related Compounds

(8R,9R,10R)-5-methoxy-8,11-dimethyl-N-propyl-11-azatetracyclo[6.4.1.01,10.02,7]trideca-2(7),3,5-trien-9-amine
CID 118507252
(8S,9S,10R)-5-methoxy-N,8,11-trimethyl-11-azatetracyclo[6.4.1.01,10.02,7]trideca-2(7),3,5-trien-9-amine
CID 144958149
(1S,9R,13S)-4-methoxy-1,10-dimethyl-N-propyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-13-amine
CID 126665191
N-ethyl-6-methoxy-3,3-dimethyl-1,2-dihydroinden-1-amine
CID 79838612
(8bS)-7-methoxy-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole
CID 12518610
1-ethyl-6-methoxy-1-methyl-N-propyl-2a,3,4,8b-tetrahydro-2H-cyclobuta[a]naphthalen-2-amine
CID 81422543
3-(2,5-dimethoxyphenyl)-2,2-dimethyl-N-propylcyclobutan-1-amine
CID 81417833
6-ethoxy-3,3-dimethyl-N-propyl-1,2-dihydroinden-1-amine
CID 79837179
7-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 10082172
6-methoxy-2,2-dimethyl-N-propyl-3,4-dihydrochromen-4-amine
CID 64698499
(1S,9R)-4-methoxy-1,10-dimethyl-10-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene
CID 45097545
6-methoxy-2-propan-2-ylsulfinyl-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 79368758

Frequently Asked Questions

What is the IUPAC name of (9R,10R)-5-methoxy-8,11-dimethyl-N-propyl-11-azatetracyclo[6.4.1.01,10.02,7]trideca-2(7),3,5-trien-9-amine?
The IUPAC name of (9R,10R)-5-methoxy-8,11-dimethyl-N-propyl-11-azatetracyclo[6.4.1.01,10.02,7]trideca-2(7),3,5-trien-9-amine (CID 144958107) is (9R,10R)-5-methoxy-8,11-dimethyl-N-propyl-11-azatetracyclo[6.4.1.01,10.02,7]trideca-2(7),3,5-trien-9-amine.
What is the SMILES notation for (9R,10R)-5-methoxy-8,11-dimethyl-N-propyl-11-azatetracyclo[6.4.1.01,10.02,7]trideca-2(7),3,5-trien-9-amine?
The canonical SMILES for (9R,10R)-5-methoxy-8,11-dimethyl-N-propyl-11-azatetracyclo[6.4.1.01,10.02,7]trideca-2(7),3,5-trien-9-amine is CCCN[C@H]1[C@@H]2N(C)CC23CC1(C)c1cc(OC)ccc13.
What is the InChIKey of (9R,10R)-5-methoxy-8,11-dimethyl-N-propyl-11-azatetracyclo[6.4.1.01,10.02,7]trideca-2(7),3,5-trien-9-amine?
The InChIKey is UMOCCJAKKSNSMJ-VYMRPNJYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-5-8-19-15-16-18(11-20(16)3)10-17(15,2)14-9-12(21-4)6-7-13(14)18/h6-7,9,15-16,19H,5,8,10-11H2,1-4H3/t15-,16-,17?,18?/m0/s1.
What are the key properties of (9R,10R)-5-methoxy-8,11-dimethyl-N-propyl-11-azatetracyclo[6.4.1.01,10.02,7]trideca-2(7),3,5-trien-9-amine?
(9R,10R)-5-methoxy-8,11-dimethyl-N-propyl-11-azatetracyclo[6.4.1.01,10.02,7]trideca-2(7),3,5-trien-9-amine has a molecular weight of 286.42 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (9R,10R)-5-methoxy-8,11-dimethyl-N-propyl-11-azatetracyclo[6.4.1.01,10.02,7]trideca-2(7),3,5-trien-9-amine is sourced from PubChem (CID 144958107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).