N-ethyl-2-(3-methylbutoxymethyl)pyridin-4-amine

C13H22N2O — CID 79251668

IUPACN-ethyl-2-(3-methylbutoxymethyl)pyridin-4-amine
SMILESCCNc1ccnc(COCCC(C)C)c1
InChIInChI=1S/C13H22N2O/c1-4-14-12-5-7-15-13(9-12)10-16-8-6-11(2)3/h5,7,9,11H,4,6,8,10H2,1-3H3,(H,14,15)
InChIKeyHRIDFLXQIGOGRJ-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.08
Rot. Bonds7

About N-ethyl-2-(3-methylbutoxymethyl)pyridin-4-amine

N-ethyl-2-(3-methylbutoxymethyl)pyridin-4-amine (PubChem CID 79251668) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is N-ethyl-2-(3-methylbutoxymethyl)pyridin-4-amine.

Molecular Properties

Compound NameN-ethyl-2-(3-methylbutoxymethyl)pyridin-4-amine
PubChem CID79251668
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC NameN-ethyl-2-(3-methylbutoxymethyl)pyridin-4-amine
SMILESCCNc1ccnc(COCCC(C)C)c1
InChIInChI=1S/C13H22N2O/c1-4-14-12-5-7-15-13(9-12)10-16-8-6-11(2)3/h5,7,9,11H,4,6,8,10H2,1-3H3,(H,14,15)
InChIKeyHRIDFLXQIGOGRJ-UHFFFAOYSA-N
XLogP3.08
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.08
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

2-(ethoxymethyl)-N-ethylpyridin-4-amine
CID 79251240
2-(1-ethoxypropan-2-yloxymethyl)-N-ethylpyridin-4-amine
CID 103490257
N-ethyl-2-(4,4,4-trifluorobutoxymethyl)pyridin-4-amine
CID 82791929
N-ethyl-2-[[1-methoxypropan-2-yl(methyl)amino]methyl]pyridin-4-amine
CID 79244322
N-methyl-2-(propoxymethyl)pyridin-4-amine
CID 79250658
[2-(propoxymethyl)-4-pyridinyl]hydrazine
CID 79259211
2-[(5-bromo-3-pyridinyl)oxymethyl]-N-ethylpyridin-4-amine
CID 79259695
[4-[[4-(ethylamino)-2-pyridinyl]methoxy]phenyl]methanol
CID 79260144
N-ethyl-2-[(4-methylsulfanylphenoxy)methyl]pyridin-4-amine
CID 79260149
2-[[2,2-difluoroethyl(methyl)amino]methyl]-N-ethylpyridin-4-amine
CID 115883847
2-[(3-chlorophenoxy)methyl]-N-ethylpyridin-4-amine
CID 79251583
N-ethyl-2-(naphthalen-1-yloxymethyl)pyridin-4-amine
CID 79245220

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(3-methylbutoxymethyl)pyridin-4-amine?
The IUPAC name of N-ethyl-2-(3-methylbutoxymethyl)pyridin-4-amine (CID 79251668) is N-ethyl-2-(3-methylbutoxymethyl)pyridin-4-amine.
What is the SMILES notation for N-ethyl-2-(3-methylbutoxymethyl)pyridin-4-amine?
The canonical SMILES for N-ethyl-2-(3-methylbutoxymethyl)pyridin-4-amine is CCNc1ccnc(COCCC(C)C)c1.
What is the InChIKey of N-ethyl-2-(3-methylbutoxymethyl)pyridin-4-amine?
The InChIKey is HRIDFLXQIGOGRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-4-14-12-5-7-15-13(9-12)10-16-8-6-11(2)3/h5,7,9,11H,4,6,8,10H2,1-3H3,(H,14,15).
What are the key properties of N-ethyl-2-(3-methylbutoxymethyl)pyridin-4-amine?
N-ethyl-2-(3-methylbutoxymethyl)pyridin-4-amine has a molecular weight of 222.33 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(3-methylbutoxymethyl)pyridin-4-amine is sourced from PubChem (CID 79251668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).