2-[[3-methoxypropyl(methyl)amino]methyl]-N-propylpyridin-4-amine

C14H25N3O — CID 79251101

IUPAC2-[[3-methoxypropyl(methyl)amino]methyl]-N-propylpyridin-4-amine
SMILESCCCNc1ccnc(CN(C)CCCOC)c1
InChIInChI=1S/C14H25N3O/c1-4-7-15-13-6-8-16-14(11-13)12-17(2)9-5-10-18-3/h6,8,11H,4-5,7,9-10,12H2,1-3H3,(H,15,16)
InChIKeyLIOJVPAUPADCBH-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.37
Rot. Bonds9

About 2-[[3-methoxypropyl(methyl)amino]methyl]-N-propylpyridin-4-amine

2-[[3-methoxypropyl(methyl)amino]methyl]-N-propylpyridin-4-amine (PubChem CID 79251101) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-[[3-methoxypropyl(methyl)amino]methyl]-N-propylpyridin-4-amine.

Molecular Properties

Compound Name2-[[3-methoxypropyl(methyl)amino]methyl]-N-propylpyridin-4-amine
PubChem CID79251101
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name2-[[3-methoxypropyl(methyl)amino]methyl]-N-propylpyridin-4-amine
SMILESCCCNc1ccnc(CN(C)CCCOC)c1
InChIInChI=1S/C14H25N3O/c1-4-7-15-13-6-8-16-14(11-13)12-17(2)9-5-10-18-3/h6,8,11H,4-5,7,9-10,12H2,1-3H3,(H,15,16)
InChIKeyLIOJVPAUPADCBH-UHFFFAOYSA-N
XLogP2.37
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.37
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

N,N,N'-trimethyl-N'-[[4-(propylamino)-2-pyridinyl]methyl]ethane-1,2-diamine
CID 79250847
2-[[ethyl(2-methoxyethyl)amino]methyl]-N-propylpyridin-4-amine
CID 79245356
2-[methyl-[[4-(propylamino)-2-pyridinyl]methyl]amino]ethanol
CID 79244315
2-[[butyl(ethyl)amino]methyl]-N-propylpyridin-4-amine
CID 79244631
2-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]-N-propylpyridin-4-amine
CID 79251024
N,N-dimethyl-N'-(2-methylpropyl)-N'-[[4-(propylamino)-2-pyridinyl]methyl]ethane-1,2-diamine
CID 79245192
2-[cyanomethyl-[[4-(propylamino)-2-pyridinyl]methyl]amino]acetonitrile
CID 79245643
N-ethyl-2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]pyridin-4-amine
CID 79244903
2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]-N-propylpyridin-4-amine
CID 79313466
N-ethyl-2-[[1-methoxypropan-2-yl(methyl)amino]methyl]pyridin-4-amine
CID 79244322
2-[[2,2-difluoroethyl(methyl)amino]methyl]-N-ethylpyridin-4-amine
CID 115883847
2-(phenoxymethyl)-N-propylpyridin-4-amine
CID 79250988

Frequently Asked Questions

What is the IUPAC name of 2-[[3-methoxypropyl(methyl)amino]methyl]-N-propylpyridin-4-amine?
The IUPAC name of 2-[[3-methoxypropyl(methyl)amino]methyl]-N-propylpyridin-4-amine (CID 79251101) is 2-[[3-methoxypropyl(methyl)amino]methyl]-N-propylpyridin-4-amine.
What is the SMILES notation for 2-[[3-methoxypropyl(methyl)amino]methyl]-N-propylpyridin-4-amine?
The canonical SMILES for 2-[[3-methoxypropyl(methyl)amino]methyl]-N-propylpyridin-4-amine is CCCNc1ccnc(CN(C)CCCOC)c1.
What is the InChIKey of 2-[[3-methoxypropyl(methyl)amino]methyl]-N-propylpyridin-4-amine?
The InChIKey is LIOJVPAUPADCBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-4-7-15-13-6-8-16-14(11-13)12-17(2)9-5-10-18-3/h6,8,11H,4-5,7,9-10,12H2,1-3H3,(H,15,16).
What are the key properties of 2-[[3-methoxypropyl(methyl)amino]methyl]-N-propylpyridin-4-amine?
2-[[3-methoxypropyl(methyl)amino]methyl]-N-propylpyridin-4-amine has a molecular weight of 251.37 g/mol, XLogP of 2.37, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-methoxypropyl(methyl)amino]methyl]-N-propylpyridin-4-amine is sourced from PubChem (CID 79251101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).