(1R)-N-ethyl-1-[(6Z,12S)-6-ethylidene-12,13-dimethyl-7,11,13-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3(8),9,14-tetraen-7-yl]-N-methylethanamine

C23H34N4 — CID 118410260

IUPAC(1R)-N-ethyl-1-[(6Z,12S)-6-ethylidene-12,13-dimethyl-7,11,13-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3(8),9,14-tetraen-7-yl]-N-methylethanamine
SMILESC/C=C1/CCc2cc3c(cc2N1[C@H](C)N(C)CC)N1C(=CN(C)[C@@H]1C)CC3
InChIInChI=1S/C23H34N4/c1-7-20-11-9-18-13-19-10-12-21-15-25(6)17(4)27(21)23(19)14-22(18)26(20)16(3)24(5)8-2/h7,13-17H,8-12H2,1-6H3/b20-7-/t16-,17+/m1/s1
InChIKeyZGASQKYKGQYUGX-JHLDSZDRSA-N
MW366.55 g/mol
LogP4.53
Rot. Bonds3

About (1R)-N-ethyl-1-[(6Z,12S)-6-ethylidene-12,13-dimethyl-7,11,13-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3(8),9,14-tetraen-7-yl]-N-methylethanamine

(1R)-N-ethyl-1-[(6Z,12S)-6-ethylidene-12,13-dimethyl-7,11,13-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3(8),9,14-tetraen-7-yl]-N-methylethanamine (PubChem CID 118410260) has the molecular formula C23H34N4 and a molecular weight of 366.55 g/mol. Its IUPAC name is (1R)-N-ethyl-1-[(6Z,12S)-6-ethylidene-12,13-dimethyl-7,11,13-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3(8),9,14-tetraen-7-yl]-N-methylethanamine.

Molecular Properties

Compound Name(1R)-N-ethyl-1-[(6Z,12S)-6-ethylidene-12,13-dimethyl-7,11,13-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3(8),9,14-tetraen-7-yl]-N-methylethanamine
PubChem CID118410260
Molecular FormulaC23H34N4
Molecular Weight366.55 g/mol
Exact Mass366.28
IUPAC Name(1R)-N-ethyl-1-[(6Z,12S)-6-ethylidene-12,13-dimethyl-7,11,13-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3(8),9,14-tetraen-7-yl]-N-methylethanamine
SMILESC/C=C1/CCc2cc3c(cc2N1[C@H](C)N(C)CC)N1C(=CN(C)[C@@H]1C)CC3
InChIInChI=1S/C23H34N4/c1-7-20-11-9-18-13-19-10-12-21-15-25(6)17(4)27(21)23(19)14-22(18)26(20)16(3)24(5)8-2/h7,13-17H,8-12H2,1-6H3/b20-7-/t16-,17+/m1/s1
InChIKeyZGASQKYKGQYUGX-JHLDSZDRSA-N
XLogP4.53
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.55
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1R)-N-ethyl-1-[(6Z,12S)-6-ethylidene-12,13-dimethyl-7,11,13-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3(8),9,14-tetraen-7-yl]-N-methylethanamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R)-N-ethyl-1-[(6Z,12S)-6-ethylidene-12,13-dimethyl-7,11,13-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3(8),9,14-tetraen-7-yl]-N-methylethanamine?
The IUPAC name of (1R)-N-ethyl-1-[(6Z,12S)-6-ethylidene-12,13-dimethyl-7,11,13-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3(8),9,14-tetraen-7-yl]-N-methylethanamine (CID 118410260) is (1R)-N-ethyl-1-[(6Z,12S)-6-ethylidene-12,13-dimethyl-7,11,13-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3(8),9,14-tetraen-7-yl]-N-methylethanamine.
What is the SMILES notation for (1R)-N-ethyl-1-[(6Z,12S)-6-ethylidene-12,13-dimethyl-7,11,13-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3(8),9,14-tetraen-7-yl]-N-methylethanamine?
The canonical SMILES for (1R)-N-ethyl-1-[(6Z,12S)-6-ethylidene-12,13-dimethyl-7,11,13-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3(8),9,14-tetraen-7-yl]-N-methylethanamine is C/C=C1/CCc2cc3c(cc2N1[C@H](C)N(C)CC)N1C(=CN(C)[C@@H]1C)CC3.
What is the InChIKey of (1R)-N-ethyl-1-[(6Z,12S)-6-ethylidene-12,13-dimethyl-7,11,13-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3(8),9,14-tetraen-7-yl]-N-methylethanamine?
The InChIKey is ZGASQKYKGQYUGX-JHLDSZDRSA-N. The full InChI is InChI=1S/C23H34N4/c1-7-20-11-9-18-13-19-10-12-21-15-25(6)17(4)27(21)23(19)14-22(18)26(20)16(3)24(5)8-2/h7,13-17H,8-12H2,1-6H3/b20-7-/t16-,17+/m1/s1.
What are the key properties of (1R)-N-ethyl-1-[(6Z,12S)-6-ethylidene-12,13-dimethyl-7,11,13-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3(8),9,14-tetraen-7-yl]-N-methylethanamine?
(1R)-N-ethyl-1-[(6Z,12S)-6-ethylidene-12,13-dimethyl-7,11,13-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3(8),9,14-tetraen-7-yl]-N-methylethanamine has a molecular weight of 366.55 g/mol, XLogP of 4.53, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-ethyl-1-[(6Z,12S)-6-ethylidene-12,13-dimethyl-7,11,13-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3(8),9,14-tetraen-7-yl]-N-methylethanamine is sourced from PubChem (CID 118410260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).