N-[(1S)-1-pyridin-3-ylethyl]-2,6-dioxaspiro[4.5]decan-9-amine

C15H22N2O2 — CID 81404864

IUPACN-[(1S)-1-pyridin-3-ylethyl]-2,6-dioxaspiro[4.5]decan-9-amine
SMILESC[C@H](NC1CCOC2(CCOC2)C1)c1cccnc1
InChIInChI=1S/C15H22N2O2/c1-12(13-3-2-6-16-10-13)17-14-4-7-19-15(9-14)5-8-18-11-15/h2-3,6,10,12,14,17H,4-5,7-9,11H2,1H3/t12-,14?,15?/m0/s1
InChIKeyXLXMVKXYMAXYLC-GRTSSRMGSA-N
MW262.35 g/mol
LogP2.07
Rot. Bonds3

About N-[(1S)-1-pyridin-3-ylethyl]-2,6-dioxaspiro[4.5]decan-9-amine

N-[(1S)-1-pyridin-3-ylethyl]-2,6-dioxaspiro[4.5]decan-9-amine (PubChem CID 81404864) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-[(1S)-1-pyridin-3-ylethyl]-2,6-dioxaspiro[4.5]decan-9-amine.

Molecular Properties

Compound NameN-[(1S)-1-pyridin-3-ylethyl]-2,6-dioxaspiro[4.5]decan-9-amine
PubChem CID81404864
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-[(1S)-1-pyridin-3-ylethyl]-2,6-dioxaspiro[4.5]decan-9-amine
SMILESC[C@H](NC1CCOC2(CCOC2)C1)c1cccnc1
InChIInChI=1S/C15H22N2O2/c1-12(13-3-2-6-16-10-13)17-14-4-7-19-15(9-14)5-8-18-11-15/h2-3,6,10,12,14,17H,4-5,7-9,11H2,1H3/t12-,14?,15?/m0/s1
InChIKeyXLXMVKXYMAXYLC-GRTSSRMGSA-N
XLogP2.07
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(3-fluorophenyl)ethyl]-2,6-dioxaspiro[4.5]decan-9-amine
CID 81365301
N-[(1S)-1-(4-chlorophenyl)ethyl]-2,6-dioxaspiro[4.5]decan-9-amine
CID 81355317
N-[(1R)-1-(4-chlorophenyl)ethyl]-2,6-dioxaspiro[4.5]decan-9-amine
CID 81352982
N-[(1S)-1-pyridin-3-ylethyl]cyclopropanamine
CID 26385082
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2,6-dioxaspiro[4.5]decan-9-amine
CID 79903316
N-[(1S)-1-pyridin-3-ylethyl]cycloheptanamine
CID 28646604
N-(1-pyridin-3-ylethyl)cyclododecanamine
CID 43079395
N-(1-pyridin-3-ylethyl)spiro[4.5]decan-8-amine
CID 114817153
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,6-dioxaspiro[4.5]decan-9-amine
CID 79895601
N-(1-pyridin-3-ylethyl)pyrrolidin-3-amine
CID 79724749
N-butan-2-yl-2,6-dioxaspiro[4.5]decan-9-amine
CID 79898146
N-[(1S)-1-(2-bromophenyl)ethyl]-1,9-dioxaspiro[5.5]undecan-4-amine
CID 81377968

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-pyridin-3-ylethyl]-2,6-dioxaspiro[4.5]decan-9-amine?
The IUPAC name of N-[(1S)-1-pyridin-3-ylethyl]-2,6-dioxaspiro[4.5]decan-9-amine (CID 81404864) is N-[(1S)-1-pyridin-3-ylethyl]-2,6-dioxaspiro[4.5]decan-9-amine.
What is the SMILES notation for N-[(1S)-1-pyridin-3-ylethyl]-2,6-dioxaspiro[4.5]decan-9-amine?
The canonical SMILES for N-[(1S)-1-pyridin-3-ylethyl]-2,6-dioxaspiro[4.5]decan-9-amine is C[C@H](NC1CCOC2(CCOC2)C1)c1cccnc1.
What is the InChIKey of N-[(1S)-1-pyridin-3-ylethyl]-2,6-dioxaspiro[4.5]decan-9-amine?
The InChIKey is XLXMVKXYMAXYLC-GRTSSRMGSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-12(13-3-2-6-16-10-13)17-14-4-7-19-15(9-14)5-8-18-11-15/h2-3,6,10,12,14,17H,4-5,7-9,11H2,1H3/t12-,14?,15?/m0/s1.
What are the key properties of N-[(1S)-1-pyridin-3-ylethyl]-2,6-dioxaspiro[4.5]decan-9-amine?
N-[(1S)-1-pyridin-3-ylethyl]-2,6-dioxaspiro[4.5]decan-9-amine has a molecular weight of 262.35 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-pyridin-3-ylethyl]-2,6-dioxaspiro[4.5]decan-9-amine is sourced from PubChem (CID 81404864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).