2-amino-3-cyclohexyl-5-propan-2-yloxy-3a,4,5,6,7,7a-hexahydroindol-3-ol

C17H30N2O2 — CID 140594916

IUPAC2-amino-3-cyclohexyl-5-propan-2-yloxy-3a,4,5,6,7,7a-hexahydroindol-3-ol
SMILESCC(C)OC1CCC2N=C(N)C(O)(C3CCCCC3)C2C1
InChIInChI=1S/C17H30N2O2/c1-11(2)21-13-8-9-15-14(10-13)17(20,16(18)19-15)12-6-4-3-5-7-12/h11-15,20H,3-10H2,1-2H3,(H2,18,19)
InChIKeyVWVGWCNKESDJQY-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.63
Rot. Bonds3

About 2-amino-3-cyclohexyl-5-propan-2-yloxy-3a,4,5,6,7,7a-hexahydroindol-3-ol

2-amino-3-cyclohexyl-5-propan-2-yloxy-3a,4,5,6,7,7a-hexahydroindol-3-ol (PubChem CID 140594916) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 2-amino-3-cyclohexyl-5-propan-2-yloxy-3a,4,5,6,7,7a-hexahydroindol-3-ol.

Molecular Properties

Compound Name2-amino-3-cyclohexyl-5-propan-2-yloxy-3a,4,5,6,7,7a-hexahydroindol-3-ol
PubChem CID140594916
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name2-amino-3-cyclohexyl-5-propan-2-yloxy-3a,4,5,6,7,7a-hexahydroindol-3-ol
SMILESCC(C)OC1CCC2N=C(N)C(O)(C3CCCCC3)C2C1
InChIInChI=1S/C17H30N2O2/c1-11(2)21-13-8-9-15-14(10-13)17(20,16(18)19-15)12-6-4-3-5-7-12/h11-15,20H,3-10H2,1-2H3,(H2,18,19)
InChIKeyVWVGWCNKESDJQY-UHFFFAOYSA-N
XLogP2.63
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-3-cyclohexyl-5-propan-2-yloxy-3a,4,5,6,7,7a-hexahydroindol-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-5-chloro-3-cyclohexyl-3a,4,5,6,7,7a-hexahydroindol-3-ol
CID 140594929
2-amino-3,5-dicyclohexyl-3a,4,5,6,7,7a-hexahydroindol-3-ol
CID 140594749
2-amino-3-cyclohexyl-5-iodo-3a,4,5,6,7,7a-hexahydroindol-3-ol
CID 140594858
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
2-amino-5-chloro-3-(5-chloro-2-propan-2-ylsulfanylcyclohexyl)-3a,4,5,6,7,7a-hexahydroindol-3-ol
CID 140594913
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
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
propan-2-yloxycycloundecane
CID 91254526
2-amino-5-chloro-3-[5-chloro-2-(dimethylamino)cyclohexyl]-3a,4,5,6,7,7a-hexahydroindol-3-ol
CID 140594940
ethane;propan-2-yloxycyclobutane;propan-2-yloxycyclohexane;propan-2-yloxycyclopropane
CID 158392294
trans-(1S,3S)-1-ethyl-3-propan-2-yloxycyclohexane
CID 177191810

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-cyclohexyl-5-propan-2-yloxy-3a,4,5,6,7,7a-hexahydroindol-3-ol?
The IUPAC name of 2-amino-3-cyclohexyl-5-propan-2-yloxy-3a,4,5,6,7,7a-hexahydroindol-3-ol (CID 140594916) is 2-amino-3-cyclohexyl-5-propan-2-yloxy-3a,4,5,6,7,7a-hexahydroindol-3-ol.
What is the SMILES notation for 2-amino-3-cyclohexyl-5-propan-2-yloxy-3a,4,5,6,7,7a-hexahydroindol-3-ol?
The canonical SMILES for 2-amino-3-cyclohexyl-5-propan-2-yloxy-3a,4,5,6,7,7a-hexahydroindol-3-ol is CC(C)OC1CCC2N=C(N)C(O)(C3CCCCC3)C2C1.
What is the InChIKey of 2-amino-3-cyclohexyl-5-propan-2-yloxy-3a,4,5,6,7,7a-hexahydroindol-3-ol?
The InChIKey is VWVGWCNKESDJQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-11(2)21-13-8-9-15-14(10-13)17(20,16(18)19-15)12-6-4-3-5-7-12/h11-15,20H,3-10H2,1-2H3,(H2,18,19).
What are the key properties of 2-amino-3-cyclohexyl-5-propan-2-yloxy-3a,4,5,6,7,7a-hexahydroindol-3-ol?
2-amino-3-cyclohexyl-5-propan-2-yloxy-3a,4,5,6,7,7a-hexahydroindol-3-ol has a molecular weight of 294.44 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-cyclohexyl-5-propan-2-yloxy-3a,4,5,6,7,7a-hexahydroindol-3-ol is sourced from PubChem (CID 140594916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).