5-methyl-2,3,3a,4,7,7a-hexahydroindol-1-amine

C9H16N2 — CID 135226701

IUPAC5-methyl-2,3,3a,4,7,7a-hexahydroindol-1-amine
SMILESCC1=CCC2C(CCN2N)C1
InChIInChI=1S/C9H16N2/c1-7-2-3-9-8(6-7)4-5-11(9)10/h2,8-9H,3-6,10H2,1H3
InChIKeyXSEDQIVYLNPDBO-UHFFFAOYSA-N
MW152.24 g/mol
LogP1.29
Rot. Bonds

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

5-methyl-2,3,3a,4,7,7a-hexahydroindol-1-amine (PubChem CID 135226701) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 5-methyl-2,3,3a,4,7,7a-hexahydroindol-1-amine.

Molecular Properties

Compound Name5-methyl-2,3,3a,4,7,7a-hexahydroindol-1-amine
PubChem CID135226701
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name5-methyl-2,3,3a,4,7,7a-hexahydroindol-1-amine
SMILESCC1=CCC2C(CCN2N)C1
InChIInChI=1S/C9H16N2/c1-7-2-3-9-8(6-7)4-5-11(9)10/h2,8-9H,3-6,10H2,1H3
InChIKeyXSEDQIVYLNPDBO-UHFFFAOYSA-N
XLogP1.29
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2,3,3a,4,7,7a-hexahydroindol-1-amine?
The IUPAC name of 5-methyl-2,3,3a,4,7,7a-hexahydroindol-1-amine (CID 135226701) is 5-methyl-2,3,3a,4,7,7a-hexahydroindol-1-amine.
What is the SMILES notation for 5-methyl-2,3,3a,4,7,7a-hexahydroindol-1-amine?
The canonical SMILES for 5-methyl-2,3,3a,4,7,7a-hexahydroindol-1-amine is CC1=CCC2C(CCN2N)C1.
What is the InChIKey of 5-methyl-2,3,3a,4,7,7a-hexahydroindol-1-amine?
The InChIKey is XSEDQIVYLNPDBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-7-2-3-9-8(6-7)4-5-11(9)10/h2,8-9H,3-6,10H2,1H3.
What are the key properties of 5-methyl-2,3,3a,4,7,7a-hexahydroindol-1-amine?
5-methyl-2,3,3a,4,7,7a-hexahydroindol-1-amine has a molecular weight of 152.24 g/mol, XLogP of 1.29, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2,3,3a,4,7,7a-hexahydroindol-1-amine is sourced from PubChem (CID 135226701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).