3,11,12,14-tetrahydroyohimban

C19H16N2 — CID 11288762

IUPAC3,11,12,14-tetrahydroyohimban
SMILESC1=C2c3[nH]c4ccccc4c3CCN2Cc2ccccc21
InChIInChI=1S/C19H16N2/c1-2-6-14-12-21-10-9-16-15-7-3-4-8-17(15)20-19(16)18(21)11-13(14)5-1/h1-8,11,20H,9-10,12H2
InChIKeySPGPSBAAKACJFV-UHFFFAOYSA-N
MW272.35 g/mol
LogP4.04
Rot. Bonds

About 3,11,12,14-tetrahydroyohimban

3,11,12,14-tetrahydroyohimban (PubChem CID 11288762) has the molecular formula C19H16N2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 3,11,12,14-tetrahydroyohimban.

Molecular Properties

Compound Name3,11,12,14-tetrahydroyohimban
PubChem CID11288762
Molecular FormulaC19H16N2
Molecular Weight272.35 g/mol
Exact Mass272.13
IUPAC Name3,11,12,14-tetrahydroyohimban
SMILESC1=C2c3[nH]c4ccccc4c3CCN2Cc2ccccc21
InChIInChI=1S/C19H16N2/c1-2-6-14-12-21-10-9-16-15-7-3-4-8-17(15)20-19(16)18(21)11-13(14)5-1/h1-8,11,20H,9-10,12H2
InChIKeySPGPSBAAKACJFV-UHFFFAOYSA-N
XLogP4.04
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-oxa-6,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2,10,12,14-pentaene
CID 24864743
1-ethyl-3,5,6,11-tetrahydro-2H-indolizino[8,7-b]indole
CID 70535428
14,14-dimethyl-3,13,17-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,15(20),16,18-octaene
CID 15428295
(15R,18R,20R)-3,11,12,14,15,16,17,18,19,20-decahydroyohimban-18-ol
CID 15478647
1,3,4,9-tetrahydropyrido[3,4-b]indol-2-amine
CID 118402613
4-chloro-9,10,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2,4,6,8,14,16,18-octaene
CID 136693641
2-methylidene-18-azatetracyclo[9.7.0.03,8.012,17]octadeca-1(11),3,5,7,12,14,16-heptaene
CID 18715259
10-methoxy-4,6,7,12-tetrahydro-3H-indolo[2,3-a]quinolizin-2-one
CID 10890876
(1S)-1-methyl-11,12,14,21-tetrahydro-3H-yohimban
CID 162788262
2-(1-methylpiperidin-4-ylidene)-18-azatetracyclo[9.7.0.03,8.012,17]octadeca-1(11),3,5,7,12,14,16-heptaene
CID 67755947
2,6-dihydro-1H-azepino[4,5-b]indole-3,5-dicarboxylic acid
CID 90862980
1-butyl-2,3,4,6,7,12-hexahydroindolo[2,3-a]quinolizine
CID 21399518

Frequently Asked Questions

What is the IUPAC name of 3,11,12,14-tetrahydroyohimban?
The IUPAC name of 3,11,12,14-tetrahydroyohimban (CID 11288762) is 3,11,12,14-tetrahydroyohimban.
What is the SMILES notation for 3,11,12,14-tetrahydroyohimban?
The canonical SMILES for 3,11,12,14-tetrahydroyohimban is C1=C2c3[nH]c4ccccc4c3CCN2Cc2ccccc21.
What is the InChIKey of 3,11,12,14-tetrahydroyohimban?
The InChIKey is SPGPSBAAKACJFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2/c1-2-6-14-12-21-10-9-16-15-7-3-4-8-17(15)20-19(16)18(21)11-13(14)5-1/h1-8,11,20H,9-10,12H2.
What are the key properties of 3,11,12,14-tetrahydroyohimban?
3,11,12,14-tetrahydroyohimban has a molecular weight of 272.35 g/mol, XLogP of 4.04, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,11,12,14-tetrahydroyohimban is sourced from PubChem (CID 11288762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).