1-[6-butan-2-yl-3-(oxan-4-yloxy)-2-pyridinyl]-N,N-dimethylmethanamine

C17H28N2O2 — CID 172576250

IUPAC1-[6-butan-2-yl-3-(oxan-4-yloxy)-2-pyridinyl]-N,N-dimethylmethanamine
SMILESCCC(C)c1ccc(OC2CCOCC2)c(CN(C)C)n1
InChIInChI=1S/C17H28N2O2/c1-5-13(2)15-6-7-17(16(18-15)12-19(3)4)21-14-8-10-20-11-9-14/h6-7,13-14H,5,8-12H2,1-4H3
InChIKeyDQUWUMIWNZJTFE-UHFFFAOYSA-N
MW292.42 g/mol
LogP3.21
Rot. Bonds6

About 1-[6-butan-2-yl-3-(oxan-4-yloxy)-2-pyridinyl]-N,N-dimethylmethanamine

1-[6-butan-2-yl-3-(oxan-4-yloxy)-2-pyridinyl]-N,N-dimethylmethanamine (PubChem CID 172576250) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 1-[6-butan-2-yl-3-(oxan-4-yloxy)-2-pyridinyl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[6-butan-2-yl-3-(oxan-4-yloxy)-2-pyridinyl]-N,N-dimethylmethanamine
PubChem CID172576250
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name1-[6-butan-2-yl-3-(oxan-4-yloxy)-2-pyridinyl]-N,N-dimethylmethanamine
SMILESCCC(C)c1ccc(OC2CCOCC2)c(CN(C)C)n1
InChIInChI=1S/C17H28N2O2/c1-5-13(2)15-6-7-17(16(18-15)12-19(3)4)21-14-8-10-20-11-9-14/h6-7,13-14H,5,8-12H2,1-4H3
InChIKeyDQUWUMIWNZJTFE-UHFFFAOYSA-N
XLogP3.21
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-butan-2-yl-2-(trifluoromethyl)phenoxy]oxane
CID 90927060
N-[[6-butan-2-yl-3-[(3S)-oxolan-3-yl]-2-pyridinyl]methyl]-2-methoxy-N-methylethanamine
CID 156652222
[6-methyl-3-(oxan-4-yloxy)-2-pyridinyl]methanamine
CID 79163433
N,N-dimethyl-1-[6-methyl-3-[(1S)-1-(oxan-4-yloxy)ethyl]-2-pyridinyl]methanamine
CID 167458569
[6-butan-2-yl-3-(oxolan-3-yl)-2-pyridinyl]methanamine
CID 165400069
N-methyl-1-[6-methyl-3-(oxan-4-yloxy)-2-pyridinyl]methanamine
CID 79150869
3-[4-methoxy-3-(oxan-4-yloxy)phenyl]butan-1-amine
CID 117448375
1-[5-(oxan-4-yloxy)-2-pyridinyl]propan-1-amine
CID 112584869
N,N-dimethyl-1-(6-propan-2-yl-2-pyridinyl)methanamine;3-methoxyoxolane
CID 167458551
[6-methyl-3-(oxolan-3-yloxy)-2-pyridinyl]methanamine
CID 79162624
1-[2-(oxan-4-yloxy)phenyl]ethanamine
CID 61288976
N-[[5-bromo-2-(oxan-4-yloxy)phenyl]methyl]-2-methylpropan-1-amine
CID 63937023

Frequently Asked Questions

What is the IUPAC name of 1-[6-butan-2-yl-3-(oxan-4-yloxy)-2-pyridinyl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[6-butan-2-yl-3-(oxan-4-yloxy)-2-pyridinyl]-N,N-dimethylmethanamine (CID 172576250) is 1-[6-butan-2-yl-3-(oxan-4-yloxy)-2-pyridinyl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[6-butan-2-yl-3-(oxan-4-yloxy)-2-pyridinyl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[6-butan-2-yl-3-(oxan-4-yloxy)-2-pyridinyl]-N,N-dimethylmethanamine is CCC(C)c1ccc(OC2CCOCC2)c(CN(C)C)n1.
What is the InChIKey of 1-[6-butan-2-yl-3-(oxan-4-yloxy)-2-pyridinyl]-N,N-dimethylmethanamine?
The InChIKey is DQUWUMIWNZJTFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-5-13(2)15-6-7-17(16(18-15)12-19(3)4)21-14-8-10-20-11-9-14/h6-7,13-14H,5,8-12H2,1-4H3.
What are the key properties of 1-[6-butan-2-yl-3-(oxan-4-yloxy)-2-pyridinyl]-N,N-dimethylmethanamine?
1-[6-butan-2-yl-3-(oxan-4-yloxy)-2-pyridinyl]-N,N-dimethylmethanamine has a molecular weight of 292.42 g/mol, XLogP of 3.21, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-butan-2-yl-3-(oxan-4-yloxy)-2-pyridinyl]-N,N-dimethylmethanamine is sourced from PubChem (CID 172576250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).