2,3,3a,4,5,6-hexahydroindol-1-amine

C8H14N2 — CID 154199633

IUPAC2,3,3a,4,5,6-hexahydroindol-1-amine
SMILESNN1CCC2CCCC=C21
InChIInChI=1S/C8H14N2/c9-10-6-5-7-3-1-2-4-8(7)10/h4,7H,1-3,5-6,9H2
InChIKeyAVAUIJDGZCPXKY-UHFFFAOYSA-N
MW138.21 g/mol
LogP1.25
Rot. Bonds

About 2,3,3a,4,5,6-hexahydroindol-1-amine

2,3,3a,4,5,6-hexahydroindol-1-amine (PubChem CID 154199633) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 2,3,3a,4,5,6-hexahydroindol-1-amine.

Molecular Properties

Compound Name2,3,3a,4,5,6-hexahydroindol-1-amine
PubChem CID154199633
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name2,3,3a,4,5,6-hexahydroindol-1-amine
SMILESNN1CCC2CCCC=C21
InChIInChI=1S/C8H14N2/c9-10-6-5-7-3-1-2-4-8(7)10/h4,7H,1-3,5-6,9H2
InChIKeyAVAUIJDGZCPXKY-UHFFFAOYSA-N
XLogP1.25
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3,3a,4,5,6-hexahydroindol-1-amine?
The IUPAC name of 2,3,3a,4,5,6-hexahydroindol-1-amine (CID 154199633) is 2,3,3a,4,5,6-hexahydroindol-1-amine.
What is the SMILES notation for 2,3,3a,4,5,6-hexahydroindol-1-amine?
The canonical SMILES for 2,3,3a,4,5,6-hexahydroindol-1-amine is NN1CCC2CCCC=C21.
What is the InChIKey of 2,3,3a,4,5,6-hexahydroindol-1-amine?
The InChIKey is AVAUIJDGZCPXKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c9-10-6-5-7-3-1-2-4-8(7)10/h4,7H,1-3,5-6,9H2.
What are the key properties of 2,3,3a,4,5,6-hexahydroindol-1-amine?
2,3,3a,4,5,6-hexahydroindol-1-amine has a molecular weight of 138.21 g/mol, XLogP of 1.25, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3a,4,5,6-hexahydroindol-1-amine is sourced from PubChem (CID 154199633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).