(3aS,5R,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-amine

C9H17N — CID 95396709

IUPAC(3aS,5R,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-amine
SMILESN[C@@H]1CC[C@H]2CCC[C@H]2C1
InChIInChI=1S/C9H17N/c10-9-5-4-7-2-1-3-8(7)6-9/h7-9H,1-6,10H2/t7-,8+,9-/m1/s1
InChIKeyUYUWBPXEXFNUAF-HRDYMLBCSA-N
MW139.24 g/mol
LogP1.91
Rot. Bonds

About (3aS,5R,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-amine

(3aS,5R,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-amine (PubChem CID 95396709) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is (3aS,5R,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-amine.

Molecular Properties

Compound Name(3aS,5R,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-amine
PubChem CID95396709
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name(3aS,5R,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-amine
SMILESN[C@@H]1CC[C@H]2CCC[C@H]2C1
InChIInChI=1S/C9H17N/c10-9-5-4-7-2-1-3-8(7)6-9/h7-9H,1-6,10H2/t7-,8+,9-/m1/s1
InChIKeyUYUWBPXEXFNUAF-HRDYMLBCSA-N
XLogP1.91
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3aS,5R,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-amine?
The IUPAC name of (3aS,5R,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-amine (CID 95396709) is (3aS,5R,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-amine.
What is the SMILES notation for (3aS,5R,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-amine?
The canonical SMILES for (3aS,5R,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-amine is N[C@@H]1CC[C@H]2CCC[C@H]2C1.
What is the InChIKey of (3aS,5R,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-amine?
The InChIKey is UYUWBPXEXFNUAF-HRDYMLBCSA-N. The full InChI is InChI=1S/C9H17N/c10-9-5-4-7-2-1-3-8(7)6-9/h7-9H,1-6,10H2/t7-,8+,9-/m1/s1.
What are the key properties of (3aS,5R,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-amine?
(3aS,5R,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-amine has a molecular weight of 139.24 g/mol, XLogP of 1.91, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,5R,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-amine is sourced from PubChem (CID 95396709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).