(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

C16H22N2O — CID 144958149

IUPAC(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
SMILESCN[C@@H]1[C@@H]2N(C)CC23C[C@@]1(C)c1cc(OC)ccc13
InChIInChI=1S/C16H22N2O/c1-15-8-16(9-18(3)14(16)13(15)17-2)11-6-5-10(19-4)7-12(11)15/h5-7,13-14,17H,8-9H2,1-4H3/t13-,14+,15+,16?/m1/s1
InChIKeyPHDJCTTYQHLHEM-WTPYQEHOSA-N
MW258.36 g/mol
LogP1.51
Rot. Bonds2

About (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

(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 (PubChem CID 144958149) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID144958149
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name(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
SMILESCN[C@@H]1[C@@H]2N(C)CC23C[C@@]1(C)c1cc(OC)ccc13
InChIInChI=1S/C16H22N2O/c1-15-8-16(9-18(3)14(16)13(15)17-2)11-6-5-10(19-4)7-12(11)15/h5-7,13-14,17H,8-9H2,1-4H3/t13-,14+,15+,16?/m1/s1
InChIKeyPHDJCTTYQHLHEM-WTPYQEHOSA-N
XLogP1.51
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

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
(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
(8bS)-7-methoxy-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole
CID 12518610
(1R,9R,13S)-10-(cyclopropylmethyl)-4-methoxy-N,1-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-13-amine
CID 90122726
(1S,9R)-4-methoxy-1,10-dimethyl-10-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene
CID 45097545
3-(6-methoxy-9,12-dimethyl-12-azatetracyclo[7.4.1.01,11.03,8]tetradeca-3(8),4,6-trien-10-yl)benzonitrile
CID 123718867
(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
5-methoxy-3-(4-methoxyphenyl)-1,1,3-trimethyl-2H-indene
CID 624568
3-(2,5-dimethoxyphenyl)-1,5-dimethylpyrrolidin-3-ol
CID 81468438
(1R,2S,3S)-3-ethyl-7-methoxy-N,1-dimethyl-1-propyl-3,4-dihydro-2H-naphthalen-2-amine
CID 167018873
1-[(1R)-4-methoxy-1,10-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-13-yl]piperidin-4-amine
CID 90122807
N-ethyl-6-methoxy-3,3-dimethyl-1,2-dihydroinden-1-amine
CID 79838612

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CN[C@@H]1[C@@H]2N(C)CC23C[C@@]1(C)c1cc(OC)ccc13.
What is the InChIKey of (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?
The InChIKey is PHDJCTTYQHLHEM-WTPYQEHOSA-N. The full InChI is InChI=1S/C16H22N2O/c1-15-8-16(9-18(3)14(16)13(15)17-2)11-6-5-10(19-4)7-12(11)15/h5-7,13-14,17H,8-9H2,1-4H3/t13-,14+,15+,16?/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 258.36 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 144958149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).