3,3-diethoxy-N-methyl-N-(2-pyridin-4-ylethyl)propan-1-amine

C15H26N2O2 — CID 63629114

IUPAC3,3-diethoxy-N-methyl-N-(2-pyridin-4-ylethyl)propan-1-amine
SMILESCCOC(CCN(C)CCc1ccncc1)OCC
InChIInChI=1S/C15H26N2O2/c1-4-18-15(19-5-2)9-13-17(3)12-8-14-6-10-16-11-7-14/h6-7,10-11,15H,4-5,8-9,12-13H2,1-3H3
InChIKeyFTZSYSXSYDHABQ-UHFFFAOYSA-N
MW266.38 g/mol
LogP2.35
Rot. Bonds10

About 3,3-diethoxy-N-methyl-N-(2-pyridin-4-ylethyl)propan-1-amine

3,3-diethoxy-N-methyl-N-(2-pyridin-4-ylethyl)propan-1-amine (PubChem CID 63629114) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 3,3-diethoxy-N-methyl-N-(2-pyridin-4-ylethyl)propan-1-amine.

Molecular Properties

Compound Name3,3-diethoxy-N-methyl-N-(2-pyridin-4-ylethyl)propan-1-amine
PubChem CID63629114
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name3,3-diethoxy-N-methyl-N-(2-pyridin-4-ylethyl)propan-1-amine
SMILESCCOC(CCN(C)CCc1ccncc1)OCC
InChIInChI=1S/C15H26N2O2/c1-4-18-15(19-5-2)9-13-17(3)12-8-14-6-10-16-11-7-14/h6-7,10-11,15H,4-5,8-9,12-13H2,1-3H3
InChIKeyFTZSYSXSYDHABQ-UHFFFAOYSA-N
XLogP2.35
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 3,3-diethoxy-N-methyl-N-(2-pyridin-4-ylethyl)propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethoxy-4-[methyl(2-pyridin-4-ylethyl)amino]butanoic acid
CID 63067599
2-amino-4-[methyl(2-pyridin-4-ylethyl)amino]butan-1-ol
CID 64825859
N-(2-bromoethyl)-N-methyl-2-pyridin-4-ylethanamine
CID 61286935
(2R,3R)-1-N,3-dimethyl-1-N-(2-pyridin-4-ylethyl)pentane-1,2-diamine
CID 94174191
3-[methyl(2-pyridin-4-ylethyl)amino]-1-(4-propan-2-yloxyphenyl)propan-1-ol
CID 110830648
N-(dicyclopropylmethyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)ethane-1,2-diamine
CID 62560654
2-(methylamino)-4-[methyl(2-pyridin-4-ylethyl)amino]butanenitrile
CID 63029274
3-chloro-N-methyl-N-(2-pyridin-4-ylethyl)propan-1-amine
CID 61286728
N-tert-butyl-N'-methyl-N'-(2-pyridin-4-ylethyl)ethane-1,2-diamine
CID 61387145
N-methyl-3-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-pyridin-4-ylethyl)propanamide
CID 109025999
(2S)-1-N-methyl-1-N-(2-pyridin-4-ylethyl)butane-1,2-diamine
CID 7138367
1-(4-chlorophenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)propane-1,3-diamine
CID 62644490

Frequently Asked Questions

What is the IUPAC name of 3,3-diethoxy-N-methyl-N-(2-pyridin-4-ylethyl)propan-1-amine?
The IUPAC name of 3,3-diethoxy-N-methyl-N-(2-pyridin-4-ylethyl)propan-1-amine (CID 63629114) is 3,3-diethoxy-N-methyl-N-(2-pyridin-4-ylethyl)propan-1-amine.
What is the SMILES notation for 3,3-diethoxy-N-methyl-N-(2-pyridin-4-ylethyl)propan-1-amine?
The canonical SMILES for 3,3-diethoxy-N-methyl-N-(2-pyridin-4-ylethyl)propan-1-amine is CCOC(CCN(C)CCc1ccncc1)OCC.
What is the InChIKey of 3,3-diethoxy-N-methyl-N-(2-pyridin-4-ylethyl)propan-1-amine?
The InChIKey is FTZSYSXSYDHABQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-4-18-15(19-5-2)9-13-17(3)12-8-14-6-10-16-11-7-14/h6-7,10-11,15H,4-5,8-9,12-13H2,1-3H3.
What are the key properties of 3,3-diethoxy-N-methyl-N-(2-pyridin-4-ylethyl)propan-1-amine?
3,3-diethoxy-N-methyl-N-(2-pyridin-4-ylethyl)propan-1-amine has a molecular weight of 266.38 g/mol, XLogP of 2.35, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethoxy-N-methyl-N-(2-pyridin-4-ylethyl)propan-1-amine is sourced from PubChem (CID 63629114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).