(2R)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole

C9H17N — CID 58997733

IUPAC(2R)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole
SMILESC[C@@H]1CC2CCCCC2N1
InChIInChI=1S/C9H17N/c1-7-6-8-4-2-3-5-9(8)10-7/h7-10H,2-6H2,1H3/t7-,8?,9?/m1/s1
InChIKeyZJHBAERTGJSGHX-AFPNSQJFSA-N
MW139.24 g/mol
LogP1.93
Rot. Bonds

About (2R)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole

(2R)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole (PubChem CID 58997733) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is (2R)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole.

Molecular Properties

Compound Name(2R)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole
PubChem CID58997733
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name(2R)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole
SMILESC[C@@H]1CC2CCCCC2N1
InChIInChI=1S/C9H17N/c1-7-6-8-4-2-3-5-9(8)10-7/h7-10H,2-6H2,1H3/t7-,8?,9?/m1/s1
InChIKeyZJHBAERTGJSGHX-AFPNSQJFSA-N
XLogP1.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(8aR)-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
CID 58883048
(4aR,8aR)-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
CID 15555472
2-methyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[b]pyridine
CID 82413509
3,21-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosane
CID 59063341
ethane;2-methyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine
CID 156888841
2-azatricyclo[7.3.0.03,7]dodecane
CID 14195049
2-methyl-2,3,5,5a,6,7,8,8a-octahydro-1H-cyclopenta[e][1,4]oxazepine
CID 106364256
2-methyl-1,2,3,3a,4,6,7,7a-octahydropyrano[4,3-b]pyrrole
CID 82418034
(2R,4S,4aR,8aS)-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-ol
CID 7078488
2-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
CID 5242210
(2S,4aR,8aR)-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxaline
CID 24744083
(2S,3S,4aR,8aR)-2,3-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxaline
CID 102313628

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole?
The IUPAC name of (2R)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole (CID 58997733) is (2R)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole.
What is the SMILES notation for (2R)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole?
The canonical SMILES for (2R)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole is C[C@@H]1CC2CCCCC2N1.
What is the InChIKey of (2R)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole?
The InChIKey is ZJHBAERTGJSGHX-AFPNSQJFSA-N. The full InChI is InChI=1S/C9H17N/c1-7-6-8-4-2-3-5-9(8)10-7/h7-10H,2-6H2,1H3/t7-,8?,9?/m1/s1.
What are the key properties of (2R)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole?
(2R)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole has a molecular weight of 139.24 g/mol, XLogP of 1.93, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole is sourced from PubChem (CID 58997733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).