2-spiro[3.5]nonan-9-ylethanamine

C11H21N — CID 83905636

IUPAC2-spiro[3.5]nonan-9-ylethanamine
SMILESNCCC1CCCCC12CCC2
InChIInChI=1S/C11H21N/c12-9-5-10-4-1-2-6-11(10)7-3-8-11/h10H,1-9,12H2
InChIKeySWPOLYAFJNWJKV-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.70
Rot. Bonds2

About 2-spiro[3.5]nonan-9-ylethanamine

2-spiro[3.5]nonan-9-ylethanamine (PubChem CID 83905636) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 2-spiro[3.5]nonan-9-ylethanamine.

Molecular Properties

Compound Name2-spiro[3.5]nonan-9-ylethanamine
PubChem CID83905636
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name2-spiro[3.5]nonan-9-ylethanamine
SMILESNCCC1CCCCC12CCC2
InChIInChI=1S/C11H21N/c12-9-5-10-4-1-2-6-11(10)7-3-8-11/h10H,1-9,12H2
InChIKeySWPOLYAFJNWJKV-UHFFFAOYSA-N
XLogP2.70
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-spiro[3.5]nonan-9-ylethanamine?
The IUPAC name of 2-spiro[3.5]nonan-9-ylethanamine (CID 83905636) is 2-spiro[3.5]nonan-9-ylethanamine.
What is the SMILES notation for 2-spiro[3.5]nonan-9-ylethanamine?
The canonical SMILES for 2-spiro[3.5]nonan-9-ylethanamine is NCCC1CCCCC12CCC2.
What is the InChIKey of 2-spiro[3.5]nonan-9-ylethanamine?
The InChIKey is SWPOLYAFJNWJKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c12-9-5-10-4-1-2-6-11(10)7-3-8-11/h10H,1-9,12H2.
What are the key properties of 2-spiro[3.5]nonan-9-ylethanamine?
2-spiro[3.5]nonan-9-ylethanamine has a molecular weight of 167.30 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-spiro[3.5]nonan-9-ylethanamine is sourced from PubChem (CID 83905636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).