N-[[6-butan-2-yl-3-[(3S)-oxolan-3-yl]-2-pyridinyl]methyl]-2-methoxy-N-methylethanamine

C18H30N2O2 — CID 156652222

IUPACN-[[6-butan-2-yl-3-[(3S)-oxolan-3-yl]-2-pyridinyl]methyl]-2-methoxy-N-methylethanamine
SMILESCCC(C)c1ccc([C@@H]2CCOC2)c(CN(C)CCOC)n1
InChIInChI=1S/C18H30N2O2/c1-5-14(2)17-7-6-16(15-8-10-22-13-15)18(19-17)12-20(3)9-11-21-4/h6-7,14-15H,5,8-13H2,1-4H3/t14?,15-/m1/s1
InChIKeyCYPPRKLWNFMLDC-YSSOQSIOSA-N
MW306.45 g/mol
LogP3.18
Rot. Bonds8

About N-[[6-butan-2-yl-3-[(3S)-oxolan-3-yl]-2-pyridinyl]methyl]-2-methoxy-N-methylethanamine

N-[[6-butan-2-yl-3-[(3S)-oxolan-3-yl]-2-pyridinyl]methyl]-2-methoxy-N-methylethanamine (PubChem CID 156652222) has the molecular formula C18H30N2O2 and a molecular weight of 306.45 g/mol. Its IUPAC name is N-[[6-butan-2-yl-3-[(3S)-oxolan-3-yl]-2-pyridinyl]methyl]-2-methoxy-N-methylethanamine.

Molecular Properties

Compound NameN-[[6-butan-2-yl-3-[(3S)-oxolan-3-yl]-2-pyridinyl]methyl]-2-methoxy-N-methylethanamine
PubChem CID156652222
Molecular FormulaC18H30N2O2
Molecular Weight306.45 g/mol
Exact Mass306.23
IUPAC NameN-[[6-butan-2-yl-3-[(3S)-oxolan-3-yl]-2-pyridinyl]methyl]-2-methoxy-N-methylethanamine
SMILESCCC(C)c1ccc([C@@H]2CCOC2)c(CN(C)CCOC)n1
InChIInChI=1S/C18H30N2O2/c1-5-14(2)17-7-6-16(15-8-10-22-13-15)18(19-17)12-20(3)9-11-21-4/h6-7,14-15H,5,8-13H2,1-4H3/t14?,15-/m1/s1
InChIKeyCYPPRKLWNFMLDC-YSSOQSIOSA-N
XLogP3.18
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[[6-butan-2-yl-3-[(3S)-oxolan-3-yl]-2-pyridinyl]methyl]-2-methoxy-N-methylethanamine with MolForge

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Related Compounds

[6-butan-2-yl-3-(oxolan-3-yl)-2-pyridinyl]methanamine
CID 165400069
N-[[6-ethyl-3-[(3R)-oxolan-3-yl]-2-pyridinyl]methyl]-N-methylpropan-2-amine
CID 164926766
N-[[6-ethyl-3-(oxolan-3-yl)-2-pyridinyl]methyl]-2,2,2-trifluoro-N-methylethanamine
CID 156651300
6-[(dimethylamino)methyl]-5-[(3S)-oxolan-3-yl]pyridin-2-amine
CID 178156266
ethane;2,2,2-trifluoro-N-methyl-N-[[6-methyl-3-(oxolan-3-yl)-2-pyridinyl]methyl]ethanamine
CID 172576226
[6-[(dimethylamino)methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl] N-tert-butylcarbamate
CID 175330279
N,N-dimethyl-1-[3-[(3S)-oxolan-3-yl]-6-propan-2-yl-2-pyridinyl]azetidin-3-amine;N,N-dimethyl-1-[3-[(3R)-oxolan-3-yl]-6-propan-2-yl-2-pyridinyl]azetidin-3-amine;N,N-dimethyl-1-[3-(oxolan-3-yl)-6-propan-2-yl-2-pyridinyl]azetidin-3-amine;2-[(3-methoxyazetidin-1-yl)methyl]-3-[(3R)-oxolan-3-yl]-6-propan-2-ylpyridine;2-[(3-methoxyazetidin-1-yl)methyl]-3-[(3S)-oxolan-3-yl]-6-propan-2-ylpyridine;3-(oxolan-3-yl)-6-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyridine
CID 158826345
tert-butyl N-[[6-amino-3-(oxolan-3-yl)-2-pyridinyl]methyl]-N-methylcarbamate;tert-butyl N-[[6-(cyclopropanecarbonylamino)-3-(oxolan-3-yl)-2-pyridinyl]methyl]-N-methylcarbamate
CID 161042218
2-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-[(3R)-oxolan-3-yl]-6-propan-2-ylpyridine;2-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-[(3S)-oxolan-3-yl]-6-propan-2-ylpyridine;2-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-(oxolan-3-yl)-6-propan-2-ylpyridine;1-[3-[(1R,3S)-3-methoxycyclopentyl]-6-propan-2-yl-2-pyridinyl]-N,N-dimethylmethanamine;1-[3-[(1S,3R)-3-methoxycyclopentyl]-6-propan-2-yl-2-pyridinyl]-N,N-dimethylmethanamine;1-[3-[(1S,3S)-3-methoxycyclopentyl]-6-propan-2-yl-2-pyridinyl]-N,N-dimethylmethanamine;1-[3-(3-methoxycyclopentyl)-6-propan-2-yl-2-pyridinyl]-N,N-dimethylmethanamine;2-[(3-methoxypyrrolidin-1-yl)methyl]-3-(oxolan-3-yl)-6-propan-2-ylpyridine;2-[[(3S)-3-methoxypyrrolidin-1-yl]methyl]-3-[(3S)-oxolan-3-yl]-6-propan-2-ylpyridine
CID 167705100
4-[[2-methoxyethyl(methyl)amino]methyl]-N-[4-methoxy-7-(oxan-4-yl)-1,3-benzothiazol-2-yl]benzamide
CID 22719578
N-[[4-[2-[(3-methoxyazetidin-1-yl)methyl]-6-propan-2-yl-3-pyridinyl]oxolan-2-yl]methyl]-N-methyl-1-[3-[(3S)-oxolan-3-yl]-6-propan-2-yl-2-pyridinyl]azetidin-3-amine
CID 163425628
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

Frequently Asked Questions

What is the IUPAC name of N-[[6-butan-2-yl-3-[(3S)-oxolan-3-yl]-2-pyridinyl]methyl]-2-methoxy-N-methylethanamine?
The IUPAC name of N-[[6-butan-2-yl-3-[(3S)-oxolan-3-yl]-2-pyridinyl]methyl]-2-methoxy-N-methylethanamine (CID 156652222) is N-[[6-butan-2-yl-3-[(3S)-oxolan-3-yl]-2-pyridinyl]methyl]-2-methoxy-N-methylethanamine.
What is the SMILES notation for N-[[6-butan-2-yl-3-[(3S)-oxolan-3-yl]-2-pyridinyl]methyl]-2-methoxy-N-methylethanamine?
The canonical SMILES for N-[[6-butan-2-yl-3-[(3S)-oxolan-3-yl]-2-pyridinyl]methyl]-2-methoxy-N-methylethanamine is CCC(C)c1ccc([C@@H]2CCOC2)c(CN(C)CCOC)n1.
What is the InChIKey of N-[[6-butan-2-yl-3-[(3S)-oxolan-3-yl]-2-pyridinyl]methyl]-2-methoxy-N-methylethanamine?
The InChIKey is CYPPRKLWNFMLDC-YSSOQSIOSA-N. The full InChI is InChI=1S/C18H30N2O2/c1-5-14(2)17-7-6-16(15-8-10-22-13-15)18(19-17)12-20(3)9-11-21-4/h6-7,14-15H,5,8-13H2,1-4H3/t14?,15-/m1/s1.
What are the key properties of N-[[6-butan-2-yl-3-[(3S)-oxolan-3-yl]-2-pyridinyl]methyl]-2-methoxy-N-methylethanamine?
N-[[6-butan-2-yl-3-[(3S)-oxolan-3-yl]-2-pyridinyl]methyl]-2-methoxy-N-methylethanamine has a molecular weight of 306.45 g/mol, XLogP of 3.18, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-butan-2-yl-3-[(3S)-oxolan-3-yl]-2-pyridinyl]methyl]-2-methoxy-N-methylethanamine is sourced from PubChem (CID 156652222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).