3-[[2-(aminomethyl)-6-methyl-3-pyridinyl]oxy]-N,N-dimethylpropan-1-amine

C12H21N3O — CID 114524856

IUPAC3-[[2-(aminomethyl)-6-methyl-3-pyridinyl]oxy]-N,N-dimethylpropan-1-amine
SMILESCc1ccc(OCCCN(C)C)c(CN)n1
InChIInChI=1S/C12H21N3O/c1-10-5-6-12(11(9-13)14-10)16-8-4-7-15(2)3/h5-6H,4,7-9,13H2,1-3H3
InChIKeyMEQRJOPWZCBFNP-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.18
Rot. Bonds6

About 3-[[2-(aminomethyl)-6-methyl-3-pyridinyl]oxy]-N,N-dimethylpropan-1-amine

3-[[2-(aminomethyl)-6-methyl-3-pyridinyl]oxy]-N,N-dimethylpropan-1-amine (PubChem CID 114524856) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 3-[[2-(aminomethyl)-6-methyl-3-pyridinyl]oxy]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[[2-(aminomethyl)-6-methyl-3-pyridinyl]oxy]-N,N-dimethylpropan-1-amine
PubChem CID114524856
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name3-[[2-(aminomethyl)-6-methyl-3-pyridinyl]oxy]-N,N-dimethylpropan-1-amine
SMILESCc1ccc(OCCCN(C)C)c(CN)n1
InChIInChI=1S/C12H21N3O/c1-10-5-6-12(11(9-13)14-10)16-8-4-7-15(2)3/h5-6H,4,7-9,13H2,1-3H3
InChIKeyMEQRJOPWZCBFNP-UHFFFAOYSA-N
XLogP1.18
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[3-[3-(dimethylamino)propoxy]-6-methyl-2-pyridinyl]methanol
CID 114525688
3-[3-(dimethylamino)propoxy]-6-methylpyridin-2-amine
CID 114524613
[6-methyl-3-(4,4,4-trifluorobutoxy)-2-pyridinyl]methanamine
CID 113326257
(3-but-3-enoxy-6-methyl-2-pyridinyl)methanamine
CID 79150479
3-[[2-(aminomethyl)-6-methyl-3-pyridinyl]oxy]-N-methylpropanamide
CID 79162338
[3-[2-(4-bromophenoxy)ethoxy]-6-methyl-2-pyridinyl]methanamine
CID 79150713
3-(dimethylamino)propyl 2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]acetate;hydrochloride
CID 110168512
4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]butan-1-amine
CID 103174470
3-[[6-(aminomethyl)-5-chloro-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine
CID 62295963
(3-but-2-enoxy-6-methyl-2-pyridinyl)methanamine
CID 79151556
(6-methyl-3-phenylmethoxy-2-pyridinyl)methanamine
CID 58869463
3-[4-(aminomethyl)-2-propan-2-ylpyrimidin-5-yl]oxy-N,N-dimethylpropan-1-amine
CID 62298226

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(aminomethyl)-6-methyl-3-pyridinyl]oxy]-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[[2-(aminomethyl)-6-methyl-3-pyridinyl]oxy]-N,N-dimethylpropan-1-amine (CID 114524856) is 3-[[2-(aminomethyl)-6-methyl-3-pyridinyl]oxy]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[[2-(aminomethyl)-6-methyl-3-pyridinyl]oxy]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[[2-(aminomethyl)-6-methyl-3-pyridinyl]oxy]-N,N-dimethylpropan-1-amine is Cc1ccc(OCCCN(C)C)c(CN)n1.
What is the InChIKey of 3-[[2-(aminomethyl)-6-methyl-3-pyridinyl]oxy]-N,N-dimethylpropan-1-amine?
The InChIKey is MEQRJOPWZCBFNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-10-5-6-12(11(9-13)14-10)16-8-4-7-15(2)3/h5-6H,4,7-9,13H2,1-3H3.
What are the key properties of 3-[[2-(aminomethyl)-6-methyl-3-pyridinyl]oxy]-N,N-dimethylpropan-1-amine?
3-[[2-(aminomethyl)-6-methyl-3-pyridinyl]oxy]-N,N-dimethylpropan-1-amine has a molecular weight of 223.32 g/mol, XLogP of 1.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(aminomethyl)-6-methyl-3-pyridinyl]oxy]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 114524856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).