1-(1-spiro[3.5]nonan-3-ylpiperidin-2-yl)ethanamine

C16H30N2 — CID 102952531

IUPAC1-(1-spiro[3.5]nonan-3-ylpiperidin-2-yl)ethanamine
SMILESCC(N)C1CCCCN1C1CCC12CCCCC2
InChIInChI=1S/C16H30N2/c1-13(17)14-7-3-6-12-18(14)15-8-11-16(15)9-4-2-5-10-16/h13-15H,2-12,17H2,1H3
InChIKeyFHXZEXOTYZOYKF-UHFFFAOYSA-N
MW250.43 g/mol
LogP3.30
Rot. Bonds2

About 1-(1-spiro[3.5]nonan-3-ylpiperidin-2-yl)ethanamine

1-(1-spiro[3.5]nonan-3-ylpiperidin-2-yl)ethanamine (PubChem CID 102952531) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is 1-(1-spiro[3.5]nonan-3-ylpiperidin-2-yl)ethanamine.

Molecular Properties

Compound Name1-(1-spiro[3.5]nonan-3-ylpiperidin-2-yl)ethanamine
PubChem CID102952531
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC Name1-(1-spiro[3.5]nonan-3-ylpiperidin-2-yl)ethanamine
SMILESCC(N)C1CCCCN1C1CCC12CCCCC2
InChIInChI=1S/C16H30N2/c1-13(17)14-7-3-6-12-18(14)15-8-11-16(15)9-4-2-5-10-16/h13-15H,2-12,17H2,1H3
InChIKeyFHXZEXOTYZOYKF-UHFFFAOYSA-N
XLogP3.30
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-spiro[3.5]nonan-3-ylpiperidin-2-yl)ethanamine?
The IUPAC name of 1-(1-spiro[3.5]nonan-3-ylpiperidin-2-yl)ethanamine (CID 102952531) is 1-(1-spiro[3.5]nonan-3-ylpiperidin-2-yl)ethanamine.
What is the SMILES notation for 1-(1-spiro[3.5]nonan-3-ylpiperidin-2-yl)ethanamine?
The canonical SMILES for 1-(1-spiro[3.5]nonan-3-ylpiperidin-2-yl)ethanamine is CC(N)C1CCCCN1C1CCC12CCCCC2.
What is the InChIKey of 1-(1-spiro[3.5]nonan-3-ylpiperidin-2-yl)ethanamine?
The InChIKey is FHXZEXOTYZOYKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2/c1-13(17)14-7-3-6-12-18(14)15-8-11-16(15)9-4-2-5-10-16/h13-15H,2-12,17H2,1H3.
What are the key properties of 1-(1-spiro[3.5]nonan-3-ylpiperidin-2-yl)ethanamine?
1-(1-spiro[3.5]nonan-3-ylpiperidin-2-yl)ethanamine has a molecular weight of 250.43 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-spiro[3.5]nonan-3-ylpiperidin-2-yl)ethanamine is sourced from PubChem (CID 102952531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).