1-[3-(3-methoxy-3-methylbutoxy)-4-pyridinyl]-N-methylmethanamine

C13H22N2O2 — CID 106667450

IUPAC1-[3-(3-methoxy-3-methylbutoxy)-4-pyridinyl]-N-methylmethanamine
SMILESCNCc1ccncc1OCCC(C)(C)OC
InChIInChI=1S/C13H22N2O2/c1-13(2,16-4)6-8-17-12-10-15-7-5-11(12)9-14-3/h5,7,10,14H,6,8-9H2,1-4H3
InChIKeySPCXLDZAWXNGMN-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.99
Rot. Bonds7

About 1-[3-(3-methoxy-3-methylbutoxy)-4-pyridinyl]-N-methylmethanamine

1-[3-(3-methoxy-3-methylbutoxy)-4-pyridinyl]-N-methylmethanamine (PubChem CID 106667450) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-[3-(3-methoxy-3-methylbutoxy)-4-pyridinyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-(3-methoxy-3-methylbutoxy)-4-pyridinyl]-N-methylmethanamine
PubChem CID106667450
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name1-[3-(3-methoxy-3-methylbutoxy)-4-pyridinyl]-N-methylmethanamine
SMILESCNCc1ccncc1OCCC(C)(C)OC
InChIInChI=1S/C13H22N2O2/c1-13(2,16-4)6-8-17-12-10-15-7-5-11(12)9-14-3/h5,7,10,14H,6,8-9H2,1-4H3
InChIKeySPCXLDZAWXNGMN-UHFFFAOYSA-N
XLogP1.99
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(3-methoxy-3-methylbutoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 106667621
N-methyl-1-[3-(3-methylbutoxy)-4-pyridinyl]methanamine
CID 105074964
N-methyl-1-[3-(3-pyridin-4-ylpropoxy)-4-pyridinyl]methanamine
CID 105075104
[4-(3-methoxy-3-methylbutoxy)-3-pyridinyl]methanol
CID 106666377
4-(3-methoxy-3-methylbutoxy)pyridin-3-amine
CID 106664857
N,N-diethyl-2-[[4-(methylaminomethyl)-3-pyridinyl]oxy]ethanamine
CID 105075378
N-methyl-1-(3-prop-2-enoxy-4-pyridinyl)methanamine
CID 105074848
1-[2-(3-methoxy-3-methylbutoxy)-5-nitrophenyl]-N-methylmethanamine
CID 103032711
3-(3-methoxy-3-methylbutoxy)pyridine
CID 103037636
N-[[2-(3-methoxy-3-methylbutoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 103032778
N-methyl-1-(4-propoxy-3-pyridinyl)methanamine
CID 81255157
1-[3-(2-tert-butylphenoxy)-4-pyridinyl]-N-methylmethanamine
CID 105075212

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-methoxy-3-methylbutoxy)-4-pyridinyl]-N-methylmethanamine?
The IUPAC name of 1-[3-(3-methoxy-3-methylbutoxy)-4-pyridinyl]-N-methylmethanamine (CID 106667450) is 1-[3-(3-methoxy-3-methylbutoxy)-4-pyridinyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-(3-methoxy-3-methylbutoxy)-4-pyridinyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-(3-methoxy-3-methylbutoxy)-4-pyridinyl]-N-methylmethanamine is CNCc1ccncc1OCCC(C)(C)OC.
What is the InChIKey of 1-[3-(3-methoxy-3-methylbutoxy)-4-pyridinyl]-N-methylmethanamine?
The InChIKey is SPCXLDZAWXNGMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-13(2,16-4)6-8-17-12-10-15-7-5-11(12)9-14-3/h5,7,10,14H,6,8-9H2,1-4H3.
What are the key properties of 1-[3-(3-methoxy-3-methylbutoxy)-4-pyridinyl]-N-methylmethanamine?
1-[3-(3-methoxy-3-methylbutoxy)-4-pyridinyl]-N-methylmethanamine has a molecular weight of 238.33 g/mol, XLogP of 1.99, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-methoxy-3-methylbutoxy)-4-pyridinyl]-N-methylmethanamine is sourced from PubChem (CID 106667450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).