N,N,2-trimethyl-1-[[3-(methylaminomethyl)-4-pyridinyl]oxy]propan-2-amine

C13H23N3O — CID 81250555

IUPACN,N,2-trimethyl-1-[[3-(methylaminomethyl)-4-pyridinyl]oxy]propan-2-amine
SMILESCNCc1cnccc1OCC(C)(C)N(C)C
InChIInChI=1S/C13H23N3O/c1-13(2,16(4)5)10-17-12-6-7-15-9-11(12)8-14-3/h6-7,9,14H,8,10H2,1-5H3
InChIKeyBTYNSYCAKRNTPH-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.52
Rot. Bonds6

About N,N,2-trimethyl-1-[[3-(methylaminomethyl)-4-pyridinyl]oxy]propan-2-amine

N,N,2-trimethyl-1-[[3-(methylaminomethyl)-4-pyridinyl]oxy]propan-2-amine (PubChem CID 81250555) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is N,N,2-trimethyl-1-[[3-(methylaminomethyl)-4-pyridinyl]oxy]propan-2-amine.

Molecular Properties

Compound NameN,N,2-trimethyl-1-[[3-(methylaminomethyl)-4-pyridinyl]oxy]propan-2-amine
PubChem CID81250555
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC NameN,N,2-trimethyl-1-[[3-(methylaminomethyl)-4-pyridinyl]oxy]propan-2-amine
SMILESCNCc1cnccc1OCC(C)(C)N(C)C
InChIInChI=1S/C13H23N3O/c1-13(2,16(4)5)10-17-12-6-7-15-9-11(12)8-14-3/h6-7,9,14H,8,10H2,1-5H3
InChIKeyBTYNSYCAKRNTPH-UHFFFAOYSA-N
XLogP1.52
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Ispronicline
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TC-2559
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1-(Propan-2-ylamino)-3-pyridin-4-yloxypropan-2-ol
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4-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-pyridine
CID 44325892
4-[(1-Methylpyrrolidin-2-yl)methoxy]pyridine
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4-Ethoxypyridine
CID 141781
US11203600, Example 35
CID 142475974
4-[2-(Aziridin-1-yl)ethoxy]pyridine
CID 268714
N-ethyl-2-(4-methoxy-3-pyridinyl)-N-methylethanamine
CID 44403261
N-ethyl-1-((pyridin-3-yloxy)methyl)cyclopropanamine
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3-(4-Methoxy-3-pyridinyl)prop-2-yn-1-amine;dihydrochloride
CID 145952745

Frequently Asked Questions

What is the IUPAC name of N,N,2-trimethyl-1-[[3-(methylaminomethyl)-4-pyridinyl]oxy]propan-2-amine?
The IUPAC name of N,N,2-trimethyl-1-[[3-(methylaminomethyl)-4-pyridinyl]oxy]propan-2-amine (CID 81250555) is N,N,2-trimethyl-1-[[3-(methylaminomethyl)-4-pyridinyl]oxy]propan-2-amine.
What is the SMILES notation for N,N,2-trimethyl-1-[[3-(methylaminomethyl)-4-pyridinyl]oxy]propan-2-amine?
The canonical SMILES for N,N,2-trimethyl-1-[[3-(methylaminomethyl)-4-pyridinyl]oxy]propan-2-amine is CNCc1cnccc1OCC(C)(C)N(C)C.
What is the InChIKey of N,N,2-trimethyl-1-[[3-(methylaminomethyl)-4-pyridinyl]oxy]propan-2-amine?
The InChIKey is BTYNSYCAKRNTPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-13(2,16(4)5)10-17-12-6-7-15-9-11(12)8-14-3/h6-7,9,14H,8,10H2,1-5H3.
What are the key properties of N,N,2-trimethyl-1-[[3-(methylaminomethyl)-4-pyridinyl]oxy]propan-2-amine?
N,N,2-trimethyl-1-[[3-(methylaminomethyl)-4-pyridinyl]oxy]propan-2-amine has a molecular weight of 237.35 g/mol, XLogP of 1.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2-trimethyl-1-[[3-(methylaminomethyl)-4-pyridinyl]oxy]propan-2-amine is sourced from PubChem (CID 81250555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).