spiro[4.4]nonan-3-amine

C9H17N — CID 117274027

IUPACspiro[4.4]nonan-3-amine
SMILESNC1CCC2(CCCC2)C1
InChIInChI=1S/C9H17N/c10-8-3-6-9(7-8)4-1-2-5-9/h8H,1-7,10H2
InChIKeyLKYKLTYURHMHGS-UHFFFAOYSA-N
MW139.24 g/mol
LogP2.06
Rot. Bonds

About spiro[4.4]nonan-3-amine

spiro[4.4]nonan-3-amine (PubChem CID 117274027) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is spiro[4.4]nonan-3-amine.

Molecular Properties

Compound Namespiro[4.4]nonan-3-amine
PubChem CID117274027
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Namespiro[4.4]nonan-3-amine
SMILESNC1CCC2(CCCC2)C1
InChIInChI=1S/C9H17N/c10-8-3-6-9(7-8)4-1-2-5-9/h8H,1-7,10H2
InChIKeyLKYKLTYURHMHGS-UHFFFAOYSA-N
XLogP2.06
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 ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of spiro[4.4]nonan-3-amine?
The IUPAC name of spiro[4.4]nonan-3-amine (CID 117274027) is spiro[4.4]nonan-3-amine.
What is the SMILES notation for spiro[4.4]nonan-3-amine?
The canonical SMILES for spiro[4.4]nonan-3-amine is NC1CCC2(CCCC2)C1.
What is the InChIKey of spiro[4.4]nonan-3-amine?
The InChIKey is LKYKLTYURHMHGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c10-8-3-6-9(7-8)4-1-2-5-9/h8H,1-7,10H2.
What are the key properties of spiro[4.4]nonan-3-amine?
spiro[4.4]nonan-3-amine has a molecular weight of 139.24 g/mol, XLogP of 2.06, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[4.4]nonan-3-amine is sourced from PubChem (CID 117274027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).