1-(5-methyl-3-pyridinyl)-3-propoxypropan-1-amine

C12H20N2O — CID 105173870

IUPAC1-(5-methyl-3-pyridinyl)-3-propoxypropan-1-amine
SMILESCCCOCCC(N)c1cncc(C)c1
InChIInChI=1S/C12H20N2O/c1-3-5-15-6-4-12(13)11-7-10(2)8-14-9-11/h7-9,12H,3-6,13H2,1-2H3
InChIKeyMRCCGWWADHSNNJ-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.21
Rot. Bonds6

About 1-(5-methyl-3-pyridinyl)-3-propoxypropan-1-amine

1-(5-methyl-3-pyridinyl)-3-propoxypropan-1-amine (PubChem CID 105173870) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 1-(5-methyl-3-pyridinyl)-3-propoxypropan-1-amine.

Molecular Properties

Compound Name1-(5-methyl-3-pyridinyl)-3-propoxypropan-1-amine
PubChem CID105173870
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name1-(5-methyl-3-pyridinyl)-3-propoxypropan-1-amine
SMILESCCCOCCC(N)c1cncc(C)c1
InChIInChI=1S/C12H20N2O/c1-3-5-15-6-4-12(13)11-7-10(2)8-14-9-11/h7-9,12H,3-6,13H2,1-2H3
InChIKeyMRCCGWWADHSNNJ-UHFFFAOYSA-N
XLogP2.21
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(5-methyl-3-pyridinyl)hexan-1-amine
CID 105023199
1-(5-methyl-3-pyridinyl)dodecan-1-amine
CID 105022916
1-(5-methyl-3-pyridinyl)-2-propoxyethanol
CID 115374102
N-ethyl-1-(5-methyl-3-pyridinyl)-2-propoxyethanamine
CID 115374427
[3-ethoxy-1-(5-methyl-3-pyridinyl)propyl]hydrazine
CID 105328621
3-heptan-4-yl-5-methylpyridine
CID 134266506
1-(5-methyl-3-pyridinyl)hex-4-yn-1-amine
CID 105181558
1-(5-methyl-3-pyridinyl)hex-5-yn-1-amine
CID 105179674
1-(5-methyl-3-pyridinyl)-3-methylsulfonylpropan-1-amine
CID 114984298
(5-methyl-3-pyridinyl)-(2-propoxyphenyl)methanamine
CID 105180812
2-ethyl-1-(5-methyl-3-pyridinyl)hexan-1-amine
CID 105022799
5-[(1R)-1-aminobutyl]pyridin-3-ol
CID 55276968

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-3-pyridinyl)-3-propoxypropan-1-amine?
The IUPAC name of 1-(5-methyl-3-pyridinyl)-3-propoxypropan-1-amine (CID 105173870) is 1-(5-methyl-3-pyridinyl)-3-propoxypropan-1-amine.
What is the SMILES notation for 1-(5-methyl-3-pyridinyl)-3-propoxypropan-1-amine?
The canonical SMILES for 1-(5-methyl-3-pyridinyl)-3-propoxypropan-1-amine is CCCOCCC(N)c1cncc(C)c1.
What is the InChIKey of 1-(5-methyl-3-pyridinyl)-3-propoxypropan-1-amine?
The InChIKey is MRCCGWWADHSNNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-3-5-15-6-4-12(13)11-7-10(2)8-14-9-11/h7-9,12H,3-6,13H2,1-2H3.
What are the key properties of 1-(5-methyl-3-pyridinyl)-3-propoxypropan-1-amine?
1-(5-methyl-3-pyridinyl)-3-propoxypropan-1-amine has a molecular weight of 208.30 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-3-pyridinyl)-3-propoxypropan-1-amine is sourced from PubChem (CID 105173870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).