1,2,3,3a-tetrahydrocyclopenta[b]indol-1-ylmethanamine

C12H14N2 — CID 67683529

IUPAC1,2,3,3a-tetrahydrocyclopenta[b]indol-1-ylmethanamine
SMILESNCC1CCC2N=c3ccccc3=C12
InChIInChI=1S/C12H14N2/c13-7-8-5-6-11-12(8)9-3-1-2-4-10(9)14-11/h1-4,8,11H,5-7,13H2
InChIKeyKAWOJWLFHTXFHM-UHFFFAOYSA-N
MW186.26 g/mol
LogP0.21
Rot. Bonds1

About 1,2,3,3a-tetrahydrocyclopenta[b]indol-1-ylmethanamine

1,2,3,3a-tetrahydrocyclopenta[b]indol-1-ylmethanamine (PubChem CID 67683529) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 1,2,3,3a-tetrahydrocyclopenta[b]indol-1-ylmethanamine.

Molecular Properties

Compound Name1,2,3,3a-tetrahydrocyclopenta[b]indol-1-ylmethanamine
PubChem CID67683529
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name1,2,3,3a-tetrahydrocyclopenta[b]indol-1-ylmethanamine
SMILESNCC1CCC2N=c3ccccc3=C12
InChIInChI=1S/C12H14N2/c13-7-8-5-6-11-12(8)9-3-1-2-4-10(9)14-11/h1-4,8,11H,5-7,13H2
InChIKeyKAWOJWLFHTXFHM-UHFFFAOYSA-N
XLogP0.21
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,3a-tetrahydrocyclopenta[b]indol-1-ylmethanamine?
The IUPAC name of 1,2,3,3a-tetrahydrocyclopenta[b]indol-1-ylmethanamine (CID 67683529) is 1,2,3,3a-tetrahydrocyclopenta[b]indol-1-ylmethanamine.
What is the SMILES notation for 1,2,3,3a-tetrahydrocyclopenta[b]indol-1-ylmethanamine?
The canonical SMILES for 1,2,3,3a-tetrahydrocyclopenta[b]indol-1-ylmethanamine is NCC1CCC2N=c3ccccc3=C12.
What is the InChIKey of 1,2,3,3a-tetrahydrocyclopenta[b]indol-1-ylmethanamine?
The InChIKey is KAWOJWLFHTXFHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2/c13-7-8-5-6-11-12(8)9-3-1-2-4-10(9)14-11/h1-4,8,11H,5-7,13H2.
What are the key properties of 1,2,3,3a-tetrahydrocyclopenta[b]indol-1-ylmethanamine?
1,2,3,3a-tetrahydrocyclopenta[b]indol-1-ylmethanamine has a molecular weight of 186.26 g/mol, XLogP of 0.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,3a-tetrahydrocyclopenta[b]indol-1-ylmethanamine is sourced from PubChem (CID 67683529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).