1,7,18,19-tetramethyl-4,9,11,12,14,15,16,17,18,19,20,21-dodecahydro-3H-yohimban

C23H34N2 — CID 20703685

IUPAC1,7,18,19-tetramethyl-4,9,11,12,14,15,16,17,18,19,20,21-dodecahydro-3H-yohimban
SMILESCC1=CC2C3=C(NC2C=C1)C1(C)CC2C(CCC(C)C2C)CN1CC3
InChIInChI=1S/C23H34N2/c1-14-5-8-21-19(11-14)18-9-10-25-13-17-7-6-15(2)16(3)20(17)12-23(25,4)22(18)24-21/h5,8,11,15-17,19-21,24H,6-7,9-10,12-13H2,1-4H3
InChIKeyVTKVLBAEWJWCMM-UHFFFAOYSA-N
MW338.54 g/mol
LogP4.51
Rot. Bonds

About 1,7,18,19-tetramethyl-4,9,11,12,14,15,16,17,18,19,20,21-dodecahydro-3H-yohimban

1,7,18,19-tetramethyl-4,9,11,12,14,15,16,17,18,19,20,21-dodecahydro-3H-yohimban (PubChem CID 20703685) has the molecular formula C23H34N2 and a molecular weight of 338.54 g/mol. Its IUPAC name is 1,7,18,19-tetramethyl-4,9,11,12,14,15,16,17,18,19,20,21-dodecahydro-3H-yohimban.

Molecular Properties

Compound Name1,7,18,19-tetramethyl-4,9,11,12,14,15,16,17,18,19,20,21-dodecahydro-3H-yohimban
PubChem CID20703685
Molecular FormulaC23H34N2
Molecular Weight338.54 g/mol
Exact Mass338.27
IUPAC Name1,7,18,19-tetramethyl-4,9,11,12,14,15,16,17,18,19,20,21-dodecahydro-3H-yohimban
SMILESCC1=CC2C3=C(NC2C=C1)C1(C)CC2C(CCC(C)C2C)CN1CC3
InChIInChI=1S/C23H34N2/c1-14-5-8-21-19(11-14)18-9-10-25-13-17-7-6-15(2)16(3)20(17)12-23(25,4)22(18)24-21/h5,8,11,15-17,19-21,24H,6-7,9-10,12-13H2,1-4H3
InChIKeyVTKVLBAEWJWCMM-UHFFFAOYSA-N
XLogP4.51
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.54
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1,7,18,19-tetramethyl-4,9,11,12,14,15,16,17,18,19,20,21-dodecahydro-3H-yohimban with MolForge

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Related Compounds

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CID 22828630
2-Cyclohexyl-11,14-diazatetracyclo[9.6.1.05,18.012,17]octadeca-1(17),5(18),8-triene
CID 54159262
(2S,12R)-2-cyclohexyl-11,14-diazatetracyclo[9.6.1.05,18.012,17]octadeca-1(17),5(18),8-triene
CID 57044073
(1R,2R)-8-methyl-1-propan-2-yl-3,6,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-8,11(16),12-triene
CID 70517008
7-[3-(1,2,3,5,6,7,8,8a-Octahydronaphthalen-1-yl)cyclohexa-1,3-dien-1-yl]-4a,5,6,6a,10,11,11b,11c-octahydroindolo[2,3-c]quinoline
CID 130349223
(3S,4aS,8aR)-3-[(4Z,5E)-3-ethyl-4,5-bis(prop-2-enylidene)-1H-pyrrol-2-yl]-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline
CID 139426477
1-(1,2,3,4,4a,5,6,7,8,8a-Decahydroisoquinolin-1-yl)-2,3-dihydroisoquinoline
CID 5231823

Frequently Asked Questions

What is the IUPAC name of 1,7,18,19-tetramethyl-4,9,11,12,14,15,16,17,18,19,20,21-dodecahydro-3H-yohimban?
The IUPAC name of 1,7,18,19-tetramethyl-4,9,11,12,14,15,16,17,18,19,20,21-dodecahydro-3H-yohimban (CID 20703685) is 1,7,18,19-tetramethyl-4,9,11,12,14,15,16,17,18,19,20,21-dodecahydro-3H-yohimban.
What is the SMILES notation for 1,7,18,19-tetramethyl-4,9,11,12,14,15,16,17,18,19,20,21-dodecahydro-3H-yohimban?
The canonical SMILES for 1,7,18,19-tetramethyl-4,9,11,12,14,15,16,17,18,19,20,21-dodecahydro-3H-yohimban is CC1=CC2C3=C(NC2C=C1)C1(C)CC2C(CCC(C)C2C)CN1CC3.
What is the InChIKey of 1,7,18,19-tetramethyl-4,9,11,12,14,15,16,17,18,19,20,21-dodecahydro-3H-yohimban?
The InChIKey is VTKVLBAEWJWCMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2/c1-14-5-8-21-19(11-14)18-9-10-25-13-17-7-6-15(2)16(3)20(17)12-23(25,4)22(18)24-21/h5,8,11,15-17,19-21,24H,6-7,9-10,12-13H2,1-4H3.
What are the key properties of 1,7,18,19-tetramethyl-4,9,11,12,14,15,16,17,18,19,20,21-dodecahydro-3H-yohimban?
1,7,18,19-tetramethyl-4,9,11,12,14,15,16,17,18,19,20,21-dodecahydro-3H-yohimban has a molecular weight of 338.54 g/mol, XLogP of 4.51, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7,18,19-tetramethyl-4,9,11,12,14,15,16,17,18,19,20,21-dodecahydro-3H-yohimban is sourced from PubChem (CID 20703685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).