[6-butan-2-yl-3-(oxolan-3-yl)-2-pyridinyl]methanamine

C14H22N2O — CID 165400069

IUPAC[6-butan-2-yl-3-(oxolan-3-yl)-2-pyridinyl]methanamine
SMILESCCC(C)c1ccc(C2CCOC2)c(CN)n1
InChIInChI=1S/C14H22N2O/c1-3-10(2)13-5-4-12(14(8-15)16-13)11-6-7-17-9-11/h4-5,10-11H,3,6-9,15H2,1-2H3
InChIKeyIDNAJNNREGGMER-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.56
Rot. Bonds4

About [6-butan-2-yl-3-(oxolan-3-yl)-2-pyridinyl]methanamine

[6-butan-2-yl-3-(oxolan-3-yl)-2-pyridinyl]methanamine (PubChem CID 165400069) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is [6-butan-2-yl-3-(oxolan-3-yl)-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[6-butan-2-yl-3-(oxolan-3-yl)-2-pyridinyl]methanamine
PubChem CID165400069
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name[6-butan-2-yl-3-(oxolan-3-yl)-2-pyridinyl]methanamine
SMILESCCC(C)c1ccc(C2CCOC2)c(CN)n1
InChIInChI=1S/C14H22N2O/c1-3-10(2)13-5-4-12(14(8-15)16-13)11-6-7-17-9-11/h4-5,10-11H,3,6-9,15H2,1-2H3
InChIKeyIDNAJNNREGGMER-UHFFFAOYSA-N
XLogP2.56
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[6-butan-2-yl-3-[(3S)-oxolan-3-yl]-2-pyridinyl]methyl]-2-methoxy-N-methylethanamine
CID 156652222
N-[[6-ethyl-3-[(3R)-oxolan-3-yl]-2-pyridinyl]methyl]-N-methylpropan-2-amine
CID 164926766
6-[(dimethylamino)methyl]-5-[(3S)-oxolan-3-yl]pyridin-2-amine
CID 178156266
2-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]-3-[(3R)-oxolan-3-yl]-6-propan-2-ylpyridine;2-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]-3-[(3R)-oxolan-3-yl]-6-propan-2-ylpyridine;2-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]-3-[(3S)-oxolan-3-yl]-6-propan-2-ylpyridine;2-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]-3-(oxolan-3-yl)-6-propan-2-ylpyridine;2-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]-3-(oxolan-3-yl)-6-propan-2-ylpyridine;1-[[3-(oxolan-3-yl)-6-propan-2-yl-2-pyridinyl]methyl]pyrrolidin-3-ol;(3R)-1-[[3-[(3R)-oxolan-3-yl]-6-propan-2-yl-2-pyridinyl]methyl]pyrrolidin-3-ol;(3R)-1-[[3-[(3S)-oxolan-3-yl]-6-propan-2-yl-2-pyridinyl]methyl]pyrrolidin-3-ol;(3R)-1-[[3-(oxolan-3-yl)-6-propan-2-yl-2-pyridinyl]methyl]pyrrolidin-3-ol
CID 161224921
2-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]-3-[(3R)-oxolan-3-yl]-6-propan-2-ylpyridine;2-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]-3-[(3R)-oxolan-3-yl]-6-propan-2-ylpyridine;2-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]-3-[(3S)-oxolan-3-yl]-6-propan-2-ylpyridine;2-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]-3-(oxolan-3-yl)-6-propan-2-ylpyridine;2-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]-3-(oxolan-3-yl)-6-propan-2-ylpyridine;1-[[3-(oxolan-3-yl)-6-propan-2-yl-2-pyridinyl]methyl]pyrrolidin-3-ol;(3R)-1-[[3-[(3R)-oxolan-3-yl]-6-propan-2-yl-2-pyridinyl]methyl]pyrrolidin-3-ol;(3R)-1-[[3-[(3S)-oxolan-3-yl]-6-propan-2-yl-2-pyridinyl]methyl]pyrrolidin-3-ol
CID 159601693
1-cyclopropyl-N-[[6-ethyl-3-(oxolan-3-yl)-2-pyridinyl]methyl]methanamine
CID 156652076
1-[6-butan-2-yl-3-(oxan-4-yloxy)-2-pyridinyl]-N,N-dimethylmethanamine
CID 172576250
[4-(oxolan-3-yl)pyrimidin-2-yl]methanamine
CID 105469286
N-[[6-ethyl-3-(oxolan-3-yl)-2-pyridinyl]methyl]-2,2,2-trifluoro-N-methylethanamine
CID 156651300
[4-(oxolan-3-yl)phenyl]methanamine
CID 83827764
[4-(oxolan-3-yl)pyrimidin-2-yl]methanamine;hydrochloride
CID 105469285
[5-methyl-2-(oxolan-3-yl)-1H-imidazol-4-yl]methanamine
CID 115015957

Frequently Asked Questions

What is the IUPAC name of [6-butan-2-yl-3-(oxolan-3-yl)-2-pyridinyl]methanamine?
The IUPAC name of [6-butan-2-yl-3-(oxolan-3-yl)-2-pyridinyl]methanamine (CID 165400069) is [6-butan-2-yl-3-(oxolan-3-yl)-2-pyridinyl]methanamine.
What is the SMILES notation for [6-butan-2-yl-3-(oxolan-3-yl)-2-pyridinyl]methanamine?
The canonical SMILES for [6-butan-2-yl-3-(oxolan-3-yl)-2-pyridinyl]methanamine is CCC(C)c1ccc(C2CCOC2)c(CN)n1.
What is the InChIKey of [6-butan-2-yl-3-(oxolan-3-yl)-2-pyridinyl]methanamine?
The InChIKey is IDNAJNNREGGMER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-3-10(2)13-5-4-12(14(8-15)16-13)11-6-7-17-9-11/h4-5,10-11H,3,6-9,15H2,1-2H3.
What are the key properties of [6-butan-2-yl-3-(oxolan-3-yl)-2-pyridinyl]methanamine?
[6-butan-2-yl-3-(oxolan-3-yl)-2-pyridinyl]methanamine has a molecular weight of 234.34 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-butan-2-yl-3-(oxolan-3-yl)-2-pyridinyl]methanamine is sourced from PubChem (CID 165400069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).