3-ethoxy-N-[(1S)-1-pyridin-4-ylethyl]spiro[3.3]heptan-1-amine

C16H24N2O — CID 81406128

IUPAC3-ethoxy-N-[(1S)-1-pyridin-4-ylethyl]spiro[3.3]heptan-1-amine
SMILESCCOC1CC(N[C@@H](C)c2ccncc2)C12CCC2
InChIInChI=1S/C16H24N2O/c1-3-19-15-11-14(16(15)7-4-8-16)18-12(2)13-5-9-17-10-6-13/h5-6,9-10,12,14-15,18H,3-4,7-8,11H2,1-2H3/t12-,14?,15?/m0/s1
InChIKeyPUKWAYDXSVUILL-GRTSSRMGSA-N
MW260.38 g/mol
LogP3.08
Rot. Bonds5

About 3-ethoxy-N-[(1S)-1-pyridin-4-ylethyl]spiro[3.3]heptan-1-amine

3-ethoxy-N-[(1S)-1-pyridin-4-ylethyl]spiro[3.3]heptan-1-amine (PubChem CID 81406128) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 3-ethoxy-N-[(1S)-1-pyridin-4-ylethyl]spiro[3.3]heptan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-[(1S)-1-pyridin-4-ylethyl]spiro[3.3]heptan-1-amine
PubChem CID81406128
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name3-ethoxy-N-[(1S)-1-pyridin-4-ylethyl]spiro[3.3]heptan-1-amine
SMILESCCOC1CC(N[C@@H](C)c2ccncc2)C12CCC2
InChIInChI=1S/C16H24N2O/c1-3-19-15-11-14(16(15)7-4-8-16)18-12(2)13-5-9-17-10-6-13/h5-6,9-10,12,14-15,18H,3-4,7-8,11H2,1-2H3/t12-,14?,15?/m0/s1
InChIKeyPUKWAYDXSVUILL-GRTSSRMGSA-N
XLogP3.08
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[(1S)-1-pyridin-4-ylethyl]spiro[3.3]heptan-1-amine?
The IUPAC name of 3-ethoxy-N-[(1S)-1-pyridin-4-ylethyl]spiro[3.3]heptan-1-amine (CID 81406128) is 3-ethoxy-N-[(1S)-1-pyridin-4-ylethyl]spiro[3.3]heptan-1-amine.
What is the SMILES notation for 3-ethoxy-N-[(1S)-1-pyridin-4-ylethyl]spiro[3.3]heptan-1-amine?
The canonical SMILES for 3-ethoxy-N-[(1S)-1-pyridin-4-ylethyl]spiro[3.3]heptan-1-amine is CCOC1CC(N[C@@H](C)c2ccncc2)C12CCC2.
What is the InChIKey of 3-ethoxy-N-[(1S)-1-pyridin-4-ylethyl]spiro[3.3]heptan-1-amine?
The InChIKey is PUKWAYDXSVUILL-GRTSSRMGSA-N. The full InChI is InChI=1S/C16H24N2O/c1-3-19-15-11-14(16(15)7-4-8-16)18-12(2)13-5-9-17-10-6-13/h5-6,9-10,12,14-15,18H,3-4,7-8,11H2,1-2H3/t12-,14?,15?/m0/s1.
What are the key properties of 3-ethoxy-N-[(1S)-1-pyridin-4-ylethyl]spiro[3.3]heptan-1-amine?
3-ethoxy-N-[(1S)-1-pyridin-4-ylethyl]spiro[3.3]heptan-1-amine has a molecular weight of 260.38 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[(1S)-1-pyridin-4-ylethyl]spiro[3.3]heptan-1-amine is sourced from PubChem (CID 81406128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).