1-spiro[5.5]undecan-3-ylethanamine

C13H25N — CID 56639585

IUPAC1-spiro[5.5]undecan-3-ylethanamine
SMILESCC(N)C1CCC2(CCCCC2)CC1
InChIInChI=1S/C13H25N/c1-11(14)12-5-9-13(10-6-12)7-3-2-4-8-13/h11-12H,2-10,14H2,1H3
InChIKeyKPRBMYDHRWNYJD-UHFFFAOYSA-N
MW195.35 g/mol
LogP3.47
Rot. Bonds1

About 1-spiro[5.5]undecan-3-ylethanamine

1-spiro[5.5]undecan-3-ylethanamine (PubChem CID 56639585) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is 1-spiro[5.5]undecan-3-ylethanamine.

Molecular Properties

Compound Name1-spiro[5.5]undecan-3-ylethanamine
PubChem CID56639585
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name1-spiro[5.5]undecan-3-ylethanamine
SMILESCC(N)C1CCC2(CCCCC2)CC1
InChIInChI=1S/C13H25N/c1-11(14)12-5-9-13(10-6-12)7-3-2-4-8-13/h11-12H,2-10,14H2,1H3
InChIKeyKPRBMYDHRWNYJD-UHFFFAOYSA-N
XLogP3.47
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-spiro[5.5]undecan-3-ylethanamine?
The IUPAC name of 1-spiro[5.5]undecan-3-ylethanamine (CID 56639585) is 1-spiro[5.5]undecan-3-ylethanamine.
What is the SMILES notation for 1-spiro[5.5]undecan-3-ylethanamine?
The canonical SMILES for 1-spiro[5.5]undecan-3-ylethanamine is CC(N)C1CCC2(CCCCC2)CC1.
What is the InChIKey of 1-spiro[5.5]undecan-3-ylethanamine?
The InChIKey is KPRBMYDHRWNYJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c1-11(14)12-5-9-13(10-6-12)7-3-2-4-8-13/h11-12H,2-10,14H2,1H3.
What are the key properties of 1-spiro[5.5]undecan-3-ylethanamine?
1-spiro[5.5]undecan-3-ylethanamine has a molecular weight of 195.35 g/mol, XLogP of 3.47, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-spiro[5.5]undecan-3-ylethanamine is sourced from PubChem (CID 56639585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).