2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-amine

C9H18N2 — CID 171651783

IUPAC2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-amine
SMILESCC1CC2CCCCC2N1N
InChIInChI=1S/C9H18N2/c1-7-6-8-4-2-3-5-9(8)11(7)10/h7-9H,2-6,10H2,1H3
InChIKeyZMJGVJTWVDRCAL-UHFFFAOYSA-N
MW154.26 g/mol
LogP1.51
Rot. Bonds

About 2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-amine

2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-amine (PubChem CID 171651783) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-amine.

Molecular Properties

Compound Name2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-amine
PubChem CID171651783
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-amine
SMILESCC1CC2CCCCC2N1N
InChIInChI=1S/C9H18N2/c1-7-6-8-4-2-3-5-9(8)11(7)10/h7-9H,2-6,10H2,1H3
InChIKeyZMJGVJTWVDRCAL-UHFFFAOYSA-N
XLogP1.51
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Related Compounds

3-methyl-2-azabicyclo[3.1.0]hexan-2-amine
CID 77335199
[(2R,7aS)-2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]hydrazine
CID 129109705
(4aR,8aS,9aS,10aS)-10-methyl-2,3,4,4a,5,6,7,8,8a,9,9a,10a-dodecahydro-1H-acridine
CID 100964186
1-[(2R,3aS,7aS)-2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-2-methylpropan-1-one
CID 58649190
[(2R,3aS,7aS)-2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-[(1S,3R)-3-aminocyclopentyl]methanone
CID 124861773
1-[(2R,3aR,7aR)-2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-2-cyclopentylethanone
CID 124835824
(3-aminocyclopentyl)-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)methanone;hydrochloride
CID 119039188
(3-aminocyclohexyl)-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)methanone
CID 119784899
(3aS,5R,7aR,8aR)-5-methyl-1,2,3,3a,5,6,7,7a,8,8a-decahydrocyclopenta[b]pyrrolizine
CID 129452746
2-amino-1-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)pentan-1-one
CID 119324400
6,8-dimethyl-2,3,4,4a,6,7,8,9a,10,10a-decahydro-1H-pyrido[1,2-a]indol-9-one
CID 167103883
2-[2-[(2R,3aR,7aR)-2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]ethoxy]ethanol
CID 129421243

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-amine?
The IUPAC name of 2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-amine (CID 171651783) is 2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-amine.
What is the SMILES notation for 2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-amine?
The canonical SMILES for 2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-amine is CC1CC2CCCCC2N1N.
What is the InChIKey of 2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-amine?
The InChIKey is ZMJGVJTWVDRCAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-7-6-8-4-2-3-5-9(8)11(7)10/h7-9H,2-6,10H2,1H3.
What are the key properties of 2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-amine?
2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-amine has a molecular weight of 154.26 g/mol, XLogP of 1.51, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-amine is sourced from PubChem (CID 171651783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).