N-(2-ethoxyethyl)-N-methyl-3-(propylaminomethyl)pyridin-4-amine

C14H25N3O — CID 81247682

IUPACN-(2-ethoxyethyl)-N-methyl-3-(propylaminomethyl)pyridin-4-amine
SMILESCCCNCc1cnccc1N(C)CCOCC
InChIInChI=1S/C14H25N3O/c1-4-7-15-11-13-12-16-8-6-14(13)17(3)9-10-18-5-2/h6,8,12,15H,4-5,7,9-11H2,1-3H3
InChIKeyRPNVBIHEIDQEHK-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.05
Rot. Bonds9

About N-(2-ethoxyethyl)-N-methyl-3-(propylaminomethyl)pyridin-4-amine

N-(2-ethoxyethyl)-N-methyl-3-(propylaminomethyl)pyridin-4-amine (PubChem CID 81247682) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-N-methyl-3-(propylaminomethyl)pyridin-4-amine.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-N-methyl-3-(propylaminomethyl)pyridin-4-amine
PubChem CID81247682
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC NameN-(2-ethoxyethyl)-N-methyl-3-(propylaminomethyl)pyridin-4-amine
SMILESCCCNCc1cnccc1N(C)CCOCC
InChIInChI=1S/C14H25N3O/c1-4-7-15-11-13-12-16-8-6-14(13)17(3)9-10-18-5-2/h6,8,12,15H,4-5,7,9-11H2,1-3H3
InChIKeyRPNVBIHEIDQEHK-UHFFFAOYSA-N
XLogP2.05
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 ≤ 52.05
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-methyl-N-(2-propan-2-yloxyethyl)-3-(propylaminomethyl)pyridin-4-amine
CID 81247408
[4-[2-ethoxyethyl(methyl)amino]-3-pyridinyl]methanol
CID 81237193
3-(aminomethyl)-N-(2-ethoxyethyl)-N-methylpyridin-4-amine
CID 81248237
N,N-dibutyl-3-(propylaminomethyl)pyridin-4-amine
CID 81249392
N-[[3-(2-ethoxyethoxy)-4-pyridinyl]methyl]propan-1-amine
CID 105074907
N-methyl-3-(propylaminomethyl)-N-(thiophen-2-ylmethyl)pyridin-4-amine
CID 81249546
N-methyl-N-(4-methylpentan-2-yl)-3-(propylaminomethyl)pyridin-4-amine
CID 81246240
N-methyl-3-(propylaminomethyl)-N-(1,3-thiazol-4-ylmethyl)pyridin-4-amine
CID 81246655
N-methyl-N-[(3-methylphenyl)methyl]-3-(propylaminomethyl)pyridin-4-amine
CID 81253106
N-cycloheptyl-N-methyl-3-(propylaminomethyl)pyridin-4-amine
CID 81247077
N-cyclohexyl-N-methyl-3-(propylaminomethyl)pyridin-4-amine
CID 81249376
N-[(4-ethoxy-3-pyridinyl)methyl]propan-1-amine
CID 81253184

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyethyl)-N-methyl-3-(propylaminomethyl)pyridin-4-amine?
The IUPAC name of N-(2-ethoxyethyl)-N-methyl-3-(propylaminomethyl)pyridin-4-amine (CID 81247682) is N-(2-ethoxyethyl)-N-methyl-3-(propylaminomethyl)pyridin-4-amine.
What is the SMILES notation for N-(2-ethoxyethyl)-N-methyl-3-(propylaminomethyl)pyridin-4-amine?
The canonical SMILES for N-(2-ethoxyethyl)-N-methyl-3-(propylaminomethyl)pyridin-4-amine is CCCNCc1cnccc1N(C)CCOCC.
What is the InChIKey of N-(2-ethoxyethyl)-N-methyl-3-(propylaminomethyl)pyridin-4-amine?
The InChIKey is RPNVBIHEIDQEHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-4-7-15-11-13-12-16-8-6-14(13)17(3)9-10-18-5-2/h6,8,12,15H,4-5,7,9-11H2,1-3H3.
What are the key properties of N-(2-ethoxyethyl)-N-methyl-3-(propylaminomethyl)pyridin-4-amine?
N-(2-ethoxyethyl)-N-methyl-3-(propylaminomethyl)pyridin-4-amine has a molecular weight of 251.37 g/mol, XLogP of 2.05, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-N-methyl-3-(propylaminomethyl)pyridin-4-amine is sourced from PubChem (CID 81247682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).