(1R,14S,15R,16S)-15-(aminomethyl)-5-methoxy-16-methyl-11-azatetracyclo[9.6.0.01,14.02,7]heptadeca-2(7),3,5-trien-12-one

C19H26N2O2 — CID 71730306

IUPAC(1R,14S,15R,16S)-15-(aminomethyl)-5-methoxy-16-methyl-11-azatetracyclo[9.6.0.01,14.02,7]heptadeca-2(7),3,5-trien-12-one
SMILESCOc1ccc2c(c1)CCCN1C(=O)C[C@H]3[C@H](CN)[C@@H](C)C[C@]231
InChIInChI=1S/C19H26N2O2/c1-12-10-19-16-6-5-14(23-2)8-13(16)4-3-7-21(19)18(22)9-17(19)15(12)11-20/h5-6,8,12,15,17H,3-4,7,9-11,20H2,1-2H3/t12-,15+,17-,19-/m0/s1
InChIKeyMCCYPGNOGAXHKD-UBTURXDTSA-N
MW314.43 g/mol
LogP2.30
Rot. Bonds2

About (1R,14S,15R,16S)-15-(aminomethyl)-5-methoxy-16-methyl-11-azatetracyclo[9.6.0.01,14.02,7]heptadeca-2(7),3,5-trien-12-one

(1R,14S,15R,16S)-15-(aminomethyl)-5-methoxy-16-methyl-11-azatetracyclo[9.6.0.01,14.02,7]heptadeca-2(7),3,5-trien-12-one (PubChem CID 71730306) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is (1R,14S,15R,16S)-15-(aminomethyl)-5-methoxy-16-methyl-11-azatetracyclo[9.6.0.01,14.02,7]heptadeca-2(7),3,5-trien-12-one.

Molecular Properties

Compound Name(1R,14S,15R,16S)-15-(aminomethyl)-5-methoxy-16-methyl-11-azatetracyclo[9.6.0.01,14.02,7]heptadeca-2(7),3,5-trien-12-one
PubChem CID71730306
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name(1R,14S,15R,16S)-15-(aminomethyl)-5-methoxy-16-methyl-11-azatetracyclo[9.6.0.01,14.02,7]heptadeca-2(7),3,5-trien-12-one
SMILESCOc1ccc2c(c1)CCCN1C(=O)C[C@H]3[C@H](CN)[C@@H](C)C[C@]231
InChIInChI=1S/C19H26N2O2/c1-12-10-19-16-6-5-14(23-2)8-13(16)4-3-7-21(19)18(22)9-17(19)15(12)11-20/h5-6,8,12,15,17H,3-4,7,9-11,20H2,1-2H3/t12-,15+,17-,19-/m0/s1
InChIKeyMCCYPGNOGAXHKD-UBTURXDTSA-N
XLogP2.30
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1R,14S,15R,16S)-15-(aminomethyl)-5-methoxy-16-methyl-11-azatetracyclo[9.6.0.01,14.02,7]heptadeca-2(7),3,5-trien-12-one with MolForge

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Related Compounds

(1R,15R,16S)-5-methoxy-15,16-dimethyl-11-azatetracyclo[9.6.0.01,14.02,7]heptadeca-2(7),3,5-trien-12-one
CID 163995750
(1R,14S,15R,16S)-15-(aminomethyl)-4,5-dimethoxy-16-methyl-11-azatetracyclo[9.6.0.01,14.02,7]heptadeca-2,4,6-trien-12-one
CID 71730310
methyl (2S,3R)-3-hydroxy-2-[[(1R,14S,15R,16S)-5-methoxy-16-methyl-12-oxo-11-azatetracyclo[9.6.0.01,14.02,7]heptadeca-2(7),3,5-triene-15-carbonyl]amino]butanoate
CID 71731210
7-methoxy-1'-(thiomorpholin-4-ylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione
CID 23737441
(6-methoxyspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl)methanamine
CID 79247847
1-(2-aminoethyl)-5-methoxy-2-methyl-2,3-dihydroinden-1-ol
CID 83910574
(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methanamine
CID 15718592
4-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-4-methyl-5,6-dihydro-3H-chromen-2-one
CID 135265456
1-[2-(8-methoxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethyl]pyrrolidin-2-one
CID 71855025
1-ethylsulfonyl-7-methoxy-3,4-dihydro-2H-quinoline
CID 110749885
[1-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-4-methylpiperidin-2-yl]methanamine
CID 103440758
2-[(4S)-7-methoxy-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetamide
CID 2420958

Frequently Asked Questions

What is the IUPAC name of (1R,14S,15R,16S)-15-(aminomethyl)-5-methoxy-16-methyl-11-azatetracyclo[9.6.0.01,14.02,7]heptadeca-2(7),3,5-trien-12-one?
The IUPAC name of (1R,14S,15R,16S)-15-(aminomethyl)-5-methoxy-16-methyl-11-azatetracyclo[9.6.0.01,14.02,7]heptadeca-2(7),3,5-trien-12-one (CID 71730306) is (1R,14S,15R,16S)-15-(aminomethyl)-5-methoxy-16-methyl-11-azatetracyclo[9.6.0.01,14.02,7]heptadeca-2(7),3,5-trien-12-one.
What is the SMILES notation for (1R,14S,15R,16S)-15-(aminomethyl)-5-methoxy-16-methyl-11-azatetracyclo[9.6.0.01,14.02,7]heptadeca-2(7),3,5-trien-12-one?
The canonical SMILES for (1R,14S,15R,16S)-15-(aminomethyl)-5-methoxy-16-methyl-11-azatetracyclo[9.6.0.01,14.02,7]heptadeca-2(7),3,5-trien-12-one is COc1ccc2c(c1)CCCN1C(=O)C[C@H]3[C@H](CN)[C@@H](C)C[C@]231.
What is the InChIKey of (1R,14S,15R,16S)-15-(aminomethyl)-5-methoxy-16-methyl-11-azatetracyclo[9.6.0.01,14.02,7]heptadeca-2(7),3,5-trien-12-one?
The InChIKey is MCCYPGNOGAXHKD-UBTURXDTSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-12-10-19-16-6-5-14(23-2)8-13(16)4-3-7-21(19)18(22)9-17(19)15(12)11-20/h5-6,8,12,15,17H,3-4,7,9-11,20H2,1-2H3/t12-,15+,17-,19-/m0/s1.
What are the key properties of (1R,14S,15R,16S)-15-(aminomethyl)-5-methoxy-16-methyl-11-azatetracyclo[9.6.0.01,14.02,7]heptadeca-2(7),3,5-trien-12-one?
(1R,14S,15R,16S)-15-(aminomethyl)-5-methoxy-16-methyl-11-azatetracyclo[9.6.0.01,14.02,7]heptadeca-2(7),3,5-trien-12-one has a molecular weight of 314.43 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,14S,15R,16S)-15-(aminomethyl)-5-methoxy-16-methyl-11-azatetracyclo[9.6.0.01,14.02,7]heptadeca-2(7),3,5-trien-12-one is sourced from PubChem (CID 71730306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).