N-[(3-ethyl-2-pyridinyl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine

C16H24N2O2 — CID 82737815

IUPACN-[(3-ethyl-2-pyridinyl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine
SMILESCCc1cccnc1CNC1CCOC2(CCOC2)C1
InChIInChI=1S/C16H24N2O2/c1-2-13-4-3-7-17-15(13)11-18-14-5-8-20-16(10-14)6-9-19-12-16/h3-4,7,14,18H,2,5-6,8-12H2,1H3
InChIKeyFQXAYSWEMVVJNI-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.07
Rot. Bonds4

About N-[(3-ethyl-2-pyridinyl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine

N-[(3-ethyl-2-pyridinyl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine (PubChem CID 82737815) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[(3-ethyl-2-pyridinyl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine.

Molecular Properties

Compound NameN-[(3-ethyl-2-pyridinyl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine
PubChem CID82737815
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-[(3-ethyl-2-pyridinyl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine
SMILESCCc1cccnc1CNC1CCOC2(CCOC2)C1
InChIInChI=1S/C16H24N2O2/c1-2-13-4-3-7-17-15(13)11-18-14-5-8-20-16(10-14)6-9-19-12-16/h3-4,7,14,18H,2,5-6,8-12H2,1H3
InChIKeyFQXAYSWEMVVJNI-UHFFFAOYSA-N
XLogP2.07
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-methyl-2-pyridinyl)methyl]-1,9-dioxaspiro[5.5]undecan-4-amine
CID 79903039
N-[(3-ethyl-2-pyridinyl)methyl]oxetan-3-amine
CID 82732740
N-[(4-ethylphenyl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine
CID 103894107
N-[(3-ethyl-2-pyridinyl)methyl]-3,3-dimethylcyclopentan-1-amine
CID 82731912
N-[(3-methyl-2-pyridinyl)methyl]-5-oxaspiro[3.5]nonan-8-amine
CID 79904113
N-[(2-fluorophenyl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine
CID 71683332
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine
CID 106370958
(5S,9S)-N-[(3-ethoxy-2-methoxyphenyl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine
CID 97255380
N-[(3-ethyl-2-pyridinyl)methyl]-2-methyloxan-4-amine
CID 82731940
N-[(2-ethylphenyl)methyl]-5-oxaspiro[3.5]nonan-8-amine
CID 79903292
N-(thiophen-2-ylmethyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79897969
(5S,9R)-N-[(2,4,6-trimethylphenyl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine
CID 97255391

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-2-pyridinyl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine?
The IUPAC name of N-[(3-ethyl-2-pyridinyl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine (CID 82737815) is N-[(3-ethyl-2-pyridinyl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine.
What is the SMILES notation for N-[(3-ethyl-2-pyridinyl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine?
The canonical SMILES for N-[(3-ethyl-2-pyridinyl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine is CCc1cccnc1CNC1CCOC2(CCOC2)C1.
What is the InChIKey of N-[(3-ethyl-2-pyridinyl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine?
The InChIKey is FQXAYSWEMVVJNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-2-13-4-3-7-17-15(13)11-18-14-5-8-20-16(10-14)6-9-19-12-16/h3-4,7,14,18H,2,5-6,8-12H2,1H3.
What are the key properties of N-[(3-ethyl-2-pyridinyl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine?
N-[(3-ethyl-2-pyridinyl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine has a molecular weight of 276.38 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-2-pyridinyl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine is sourced from PubChem (CID 82737815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).