2,3,7,7a-tetrahydro-1H-inden-1-amine

C9H13N — CID 129268869

IUPAC2,3,7,7a-tetrahydro-1H-inden-1-amine
SMILESNC1CCC2=CC=CCC21
InChIInChI=1S/C9H13N/c10-9-6-5-7-3-1-2-4-8(7)9/h1-3,8-9H,4-6,10H2
InChIKeyJABMKZFTWUQCLB-UHFFFAOYSA-N
MW135.21 g/mol
LogP1.61
Rot. Bonds

About 2,3,7,7a-tetrahydro-1H-inden-1-amine

2,3,7,7a-tetrahydro-1H-inden-1-amine (PubChem CID 129268869) has the molecular formula C9H13N and a molecular weight of 135.21 g/mol. Its IUPAC name is 2,3,7,7a-tetrahydro-1H-inden-1-amine.

Molecular Properties

Compound Name2,3,7,7a-tetrahydro-1H-inden-1-amine
PubChem CID129268869
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC Name2,3,7,7a-tetrahydro-1H-inden-1-amine
SMILESNC1CCC2=CC=CCC21
InChIInChI=1S/C9H13N/c10-9-6-5-7-3-1-2-4-8(7)9/h1-3,8-9H,4-6,10H2
InChIKeyJABMKZFTWUQCLB-UHFFFAOYSA-N
XLogP1.61
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.21
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3,7,7a-tetrahydro-1H-inden-1-amine?
The IUPAC name of 2,3,7,7a-tetrahydro-1H-inden-1-amine (CID 129268869) is 2,3,7,7a-tetrahydro-1H-inden-1-amine.
What is the SMILES notation for 2,3,7,7a-tetrahydro-1H-inden-1-amine?
The canonical SMILES for 2,3,7,7a-tetrahydro-1H-inden-1-amine is NC1CCC2=CC=CCC21.
What is the InChIKey of 2,3,7,7a-tetrahydro-1H-inden-1-amine?
The InChIKey is JABMKZFTWUQCLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N/c10-9-6-5-7-3-1-2-4-8(7)9/h1-3,8-9H,4-6,10H2.
What are the key properties of 2,3,7,7a-tetrahydro-1H-inden-1-amine?
2,3,7,7a-tetrahydro-1H-inden-1-amine has a molecular weight of 135.21 g/mol, XLogP of 1.61, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,7,7a-tetrahydro-1H-inden-1-amine is sourced from PubChem (CID 129268869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).