4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)pentan-1-amine

C13H26N2 — CID 82751497

IUPAC4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)pentan-1-amine
SMILESCC(CCCN)N1CCC2CCCCC21
InChIInChI=1S/C13H26N2/c1-11(5-4-9-14)15-10-8-12-6-2-3-7-13(12)15/h11-13H,2-10,14H2,1H3
InChIKeyMOQSUYHMMPEWLC-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.38
Rot. Bonds4

About 4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)pentan-1-amine

4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)pentan-1-amine (PubChem CID 82751497) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is 4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)pentan-1-amine.

Molecular Properties

Compound Name4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)pentan-1-amine
PubChem CID82751497
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)pentan-1-amine
SMILESCC(CCCN)N1CCC2CCCCC21
InChIInChI=1S/C13H26N2/c1-11(5-4-9-14)15-10-8-12-6-2-3-7-13(12)15/h11-13H,2-10,14H2,1H3
InChIKeyMOQSUYHMMPEWLC-UHFFFAOYSA-N
XLogP2.38
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)pentan-1-amine?
The IUPAC name of 4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)pentan-1-amine (CID 82751497) is 4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)pentan-1-amine.
What is the SMILES notation for 4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)pentan-1-amine?
The canonical SMILES for 4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)pentan-1-amine is CC(CCCN)N1CCC2CCCCC21.
What is the InChIKey of 4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)pentan-1-amine?
The InChIKey is MOQSUYHMMPEWLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-11(5-4-9-14)15-10-8-12-6-2-3-7-13(12)15/h11-13H,2-10,14H2,1H3.
What are the key properties of 4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)pentan-1-amine?
4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)pentan-1-amine has a molecular weight of 210.36 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)pentan-1-amine is sourced from PubChem (CID 82751497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).