2-amino-3,5-dicyclohexyl-3a,4,5,6,7,7a-hexahydroindol-3-ol

C20H34N2O — CID 140594749

IUPAC2-amino-3,5-dicyclohexyl-3a,4,5,6,7,7a-hexahydroindol-3-ol
SMILESNC1=NC2CCC(C3CCCCC3)CC2C1(O)C1CCCCC1
InChIInChI=1S/C20H34N2O/c21-19-20(23,16-9-5-2-6-10-16)17-13-15(11-12-18(17)22-19)14-7-3-1-4-8-14/h14-18,23H,1-13H2,(H2,21,22)
InChIKeyHUYQNGIVSQACSM-UHFFFAOYSA-N
MW318.51 g/mol
LogP4.03
Rot. Bonds2

About 2-amino-3,5-dicyclohexyl-3a,4,5,6,7,7a-hexahydroindol-3-ol

2-amino-3,5-dicyclohexyl-3a,4,5,6,7,7a-hexahydroindol-3-ol (PubChem CID 140594749) has the molecular formula C20H34N2O and a molecular weight of 318.51 g/mol. Its IUPAC name is 2-amino-3,5-dicyclohexyl-3a,4,5,6,7,7a-hexahydroindol-3-ol.

Molecular Properties

Compound Name2-amino-3,5-dicyclohexyl-3a,4,5,6,7,7a-hexahydroindol-3-ol
PubChem CID140594749
Molecular FormulaC20H34N2O
Molecular Weight318.51 g/mol
Exact Mass318.27
IUPAC Name2-amino-3,5-dicyclohexyl-3a,4,5,6,7,7a-hexahydroindol-3-ol
SMILESNC1=NC2CCC(C3CCCCC3)CC2C1(O)C1CCCCC1
InChIInChI=1S/C20H34N2O/c21-19-20(23,16-9-5-2-6-10-16)17-13-15(11-12-18(17)22-19)14-7-3-1-4-8-14/h14-18,23H,1-13H2,(H2,21,22)
InChIKeyHUYQNGIVSQACSM-UHFFFAOYSA-N
XLogP4.03
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.51
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-5-chloro-3-cyclohexyl-3a,4,5,6,7,7a-hexahydroindol-3-ol
CID 140594929
2-amino-3-cyclohexyl-5-iodo-3a,4,5,6,7,7a-hexahydroindol-3-ol
CID 140594858
2-amino-3-cyclohexyl-5-propan-2-yloxy-3a,4,5,6,7,7a-hexahydroindol-3-ol
CID 140594916
2-amino-5-chloro-3-(2-cyclohexylcyclohexyl)-3a,4,5,6,7,7a-hexahydroindol-3-ol
CID 140594746
3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-2-amino-5-chloro-3a,4,5,6,7,7a-hexahydroindol-3-ol
CID 140594784
2-amino-5-chloro-3-(3-methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-3a,4,5,6,7,7a-hexahydroindol-3-ol
CID 140594845
3-(2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-2-yl)-2-amino-5-chloro-3a,4,5,6,7,7a-hexahydroindol-3-ol
CID 140594802
2-amino-5-chloro-3-(2-fluorocyclohexyl)-3a,4,5,6,7,7a-hexahydroindol-3-ol
CID 140594799
2-amino-5-chloro-3-(2-ethylsulfanylcyclohexyl)-3a,4,5,6,7,7a-hexahydroindol-3-ol
CID 140594839
2-amino-5-chloro-3-(1,3-thiazolidin-2-yl)-3a,4,5,6,7,7a-hexahydroindol-3-ol
CID 140594840
2-amino-5-chloro-3-(2-cyclopropyl-5-methoxycyclohexyl)-3a,4,5,6,7,7a-hexahydroindol-3-ol
CID 140594834
2-amino-5-chloro-3-[5-chloro-2-(dimethylamino)cyclohexyl]-3a,4,5,6,7,7a-hexahydroindol-3-ol
CID 140594940

Frequently Asked Questions

What is the IUPAC name of 2-amino-3,5-dicyclohexyl-3a,4,5,6,7,7a-hexahydroindol-3-ol?
The IUPAC name of 2-amino-3,5-dicyclohexyl-3a,4,5,6,7,7a-hexahydroindol-3-ol (CID 140594749) is 2-amino-3,5-dicyclohexyl-3a,4,5,6,7,7a-hexahydroindol-3-ol.
What is the SMILES notation for 2-amino-3,5-dicyclohexyl-3a,4,5,6,7,7a-hexahydroindol-3-ol?
The canonical SMILES for 2-amino-3,5-dicyclohexyl-3a,4,5,6,7,7a-hexahydroindol-3-ol is NC1=NC2CCC(C3CCCCC3)CC2C1(O)C1CCCCC1.
What is the InChIKey of 2-amino-3,5-dicyclohexyl-3a,4,5,6,7,7a-hexahydroindol-3-ol?
The InChIKey is HUYQNGIVSQACSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N2O/c21-19-20(23,16-9-5-2-6-10-16)17-13-15(11-12-18(17)22-19)14-7-3-1-4-8-14/h14-18,23H,1-13H2,(H2,21,22).
What are the key properties of 2-amino-3,5-dicyclohexyl-3a,4,5,6,7,7a-hexahydroindol-3-ol?
2-amino-3,5-dicyclohexyl-3a,4,5,6,7,7a-hexahydroindol-3-ol has a molecular weight of 318.51 g/mol, XLogP of 4.03, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,5-dicyclohexyl-3a,4,5,6,7,7a-hexahydroindol-3-ol is sourced from PubChem (CID 140594749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).