(1S,12R,16S)-16-ethyl-15-methyl-11-methylidene-9,15-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3,5,7-tetraene

C18H22N2 — CID 3034419

IUPAC(1S,12R,16S)-16-ethyl-15-methyl-11-methylidene-9,15-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3,5,7-tetraene
SMILESC=C1c2[nH]c3ccccc3c2[C@@H]2[C@@H](CC)[C@H]1CCN2C
InChIInChI=1S/C18H22N2/c1-4-12-13-9-10-20(3)18(12)16-14-7-5-6-8-15(14)19-17(16)11(13)2/h5-8,12-13,18-19H,2,4,9-10H2,1,3H3/t12-,13-,18-/m0/s1
InChIKeyMFFIRXGJJPPAMA-LXIYXOSZSA-N
MW266.39 g/mol
LogP4.21
Rot. Bonds1

About (1S,12R,16S)-16-ethyl-15-methyl-11-methylidene-9,15-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3,5,7-tetraene

(1S,12R,16S)-16-ethyl-15-methyl-11-methylidene-9,15-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3,5,7-tetraene (PubChem CID 3034419) has the molecular formula C18H22N2 and a molecular weight of 266.39 g/mol. Its IUPAC name is (1S,12R,16S)-16-ethyl-15-methyl-11-methylidene-9,15-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3,5,7-tetraene.

Molecular Properties

Compound Name(1S,12R,16S)-16-ethyl-15-methyl-11-methylidene-9,15-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3,5,7-tetraene
PubChem CID3034419
Molecular FormulaC18H22N2
Molecular Weight266.39 g/mol
Exact Mass266.18
IUPAC Name(1S,12R,16S)-16-ethyl-15-methyl-11-methylidene-9,15-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3,5,7-tetraene
SMILESC=C1c2[nH]c3ccccc3c2[C@@H]2[C@@H](CC)[C@H]1CCN2C
InChIInChI=1S/C18H22N2/c1-4-12-13-9-10-20(3)18(12)16-14-7-5-6-8-15(14)19-17(16)11(13)2/h5-8,12-13,18-19H,2,4,9-10H2,1,3H3/t12-,13-,18-/m0/s1
InChIKeyMFFIRXGJJPPAMA-LXIYXOSZSA-N
XLogP4.21
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1S,12R,16S)-16-ethyl-15-methyl-11-methylidene-9,15-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3,5,7-tetraene with MolForge

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Related Compounds

(1R,12S)-16-ethyl-15-methyl-11-methylidene-15-oxido-9-aza-15-azoniatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3,5,7-tetraene
CID 21123692
(1R,12S,16S)-16-ethyl-11-methylidene-9,15-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3,5,7-tetraen-14-one
CID 71658375
(2S,3S,4S)-4-[2-(1,3-dithian-2-yl)-1H-indol-3-yl]-3-ethyl-1-methylpiperidine-2-carbonitrile
CID 11811117
2-[2-(dimethylamino)ethyl]-3-ethyl-1-methylidene-2,3,4,9-tetrahydrocarbazole-4-carbonitrile
CID 610036
1-cyclobutyl-2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 141010489
2-methyl-3-(1-methylpyrrolidin-2-yl)-1H-indole
CID 29442
7-ethyl-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizine-1-carbonitrile
CID 70531608
(1S,11Z,12R)-11-(methoxymethylidene)-15-methyl-9,15-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3,5,7-tetraene
CID 14914547
3-ethyl-1,2,3,4-tetrahydrocyclopenta[b]indole
CID 10511740
(1'R,12'S)-15'-benzyl-16'-ethylspiro[1,3-dithiane-2,11'-9,15-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3,5,7-tetraene]
CID 15286848
1-ethyl-6,7,12,12b-tetrahydro-1H-indolo[2,3-a]quinolizin-4-one
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3-[2-(2-methylpiperidin-1-yl)ethyl]-2-phenyl-1H-indole
CID 3054786

Frequently Asked Questions

What is the IUPAC name of (1S,12R,16S)-16-ethyl-15-methyl-11-methylidene-9,15-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3,5,7-tetraene?
The IUPAC name of (1S,12R,16S)-16-ethyl-15-methyl-11-methylidene-9,15-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3,5,7-tetraene (CID 3034419) is (1S,12R,16S)-16-ethyl-15-methyl-11-methylidene-9,15-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3,5,7-tetraene.
What is the SMILES notation for (1S,12R,16S)-16-ethyl-15-methyl-11-methylidene-9,15-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3,5,7-tetraene?
The canonical SMILES for (1S,12R,16S)-16-ethyl-15-methyl-11-methylidene-9,15-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3,5,7-tetraene is C=C1c2[nH]c3ccccc3c2[C@@H]2[C@@H](CC)[C@H]1CCN2C.
What is the InChIKey of (1S,12R,16S)-16-ethyl-15-methyl-11-methylidene-9,15-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3,5,7-tetraene?
The InChIKey is MFFIRXGJJPPAMA-LXIYXOSZSA-N. The full InChI is InChI=1S/C18H22N2/c1-4-12-13-9-10-20(3)18(12)16-14-7-5-6-8-15(14)19-17(16)11(13)2/h5-8,12-13,18-19H,2,4,9-10H2,1,3H3/t12-,13-,18-/m0/s1.
What are the key properties of (1S,12R,16S)-16-ethyl-15-methyl-11-methylidene-9,15-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3,5,7-tetraene?
(1S,12R,16S)-16-ethyl-15-methyl-11-methylidene-9,15-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3,5,7-tetraene has a molecular weight of 266.39 g/mol, XLogP of 4.21, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,12R,16S)-16-ethyl-15-methyl-11-methylidene-9,15-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3,5,7-tetraene is sourced from PubChem (CID 3034419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).