2-ethoxy-N,2-dimethyl-1-(5-propoxy-3-pyridinyl)propan-1-amine

C15H26N2O2 — CID 116726587

IUPAC2-ethoxy-N,2-dimethyl-1-(5-propoxy-3-pyridinyl)propan-1-amine
SMILESCCCOc1cncc(C(NC)C(C)(C)OCC)c1
InChIInChI=1S/C15H26N2O2/c1-6-8-18-13-9-12(10-17-11-13)14(16-5)15(3,4)19-7-2/h9-11,14,16H,6-8H2,1-5H3
InChIKeyCJJVXYNSYJFGKM-UHFFFAOYSA-N
MW266.38 g/mol
LogP2.95
Rot. Bonds8

About 2-ethoxy-N,2-dimethyl-1-(5-propoxy-3-pyridinyl)propan-1-amine

2-ethoxy-N,2-dimethyl-1-(5-propoxy-3-pyridinyl)propan-1-amine (PubChem CID 116726587) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 2-ethoxy-N,2-dimethyl-1-(5-propoxy-3-pyridinyl)propan-1-amine.

Molecular Properties

Compound Name2-ethoxy-N,2-dimethyl-1-(5-propoxy-3-pyridinyl)propan-1-amine
PubChem CID116726587
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name2-ethoxy-N,2-dimethyl-1-(5-propoxy-3-pyridinyl)propan-1-amine
SMILESCCCOc1cncc(C(NC)C(C)(C)OCC)c1
InChIInChI=1S/C15H26N2O2/c1-6-8-18-13-9-12(10-17-11-13)14(16-5)15(3,4)19-7-2/h9-11,14,16H,6-8H2,1-5H3
InChIKeyCJJVXYNSYJFGKM-UHFFFAOYSA-N
XLogP2.95
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2,2-trifluoro-N-methyl-1-(5-propoxy-3-pyridinyl)ethanamine
CID 105026955
2-ethoxy-2-methyl-1-(5-propoxy-3-pyridinyl)butan-1-amine
CID 116758579
1-(3,5-dimethylphenyl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine
CID 105026730
1-(3,5-dichlorophenyl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine
CID 105026931
N-methyl-1-(5-propoxy-3-pyridinyl)nonan-1-amine
CID 105026682
1-(3,4-dimethylphenyl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine
CID 105026781
1-(6-methoxypyridazin-3-yl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine
CID 103374212
N-methyl-1-(2-methyl-3-pyridinyl)-1-(5-propoxy-3-pyridinyl)methanamine
CID 105175626
1-(3-ethyl-2-pyridinyl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine
CID 82732602
N-ethyl-3-methoxy-3-methyl-1-(5-propoxy-3-pyridinyl)butan-1-amine
CID 103028938
4-methoxy-N-methyl-1-(5-propoxy-3-pyridinyl)pentan-1-amine
CID 105175683
N-methyl-1-(1-methylcyclopentyl)-1-(5-propoxy-3-pyridinyl)methanamine
CID 105026977

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N,2-dimethyl-1-(5-propoxy-3-pyridinyl)propan-1-amine?
The IUPAC name of 2-ethoxy-N,2-dimethyl-1-(5-propoxy-3-pyridinyl)propan-1-amine (CID 116726587) is 2-ethoxy-N,2-dimethyl-1-(5-propoxy-3-pyridinyl)propan-1-amine.
What is the SMILES notation for 2-ethoxy-N,2-dimethyl-1-(5-propoxy-3-pyridinyl)propan-1-amine?
The canonical SMILES for 2-ethoxy-N,2-dimethyl-1-(5-propoxy-3-pyridinyl)propan-1-amine is CCCOc1cncc(C(NC)C(C)(C)OCC)c1.
What is the InChIKey of 2-ethoxy-N,2-dimethyl-1-(5-propoxy-3-pyridinyl)propan-1-amine?
The InChIKey is CJJVXYNSYJFGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-6-8-18-13-9-12(10-17-11-13)14(16-5)15(3,4)19-7-2/h9-11,14,16H,6-8H2,1-5H3.
What are the key properties of 2-ethoxy-N,2-dimethyl-1-(5-propoxy-3-pyridinyl)propan-1-amine?
2-ethoxy-N,2-dimethyl-1-(5-propoxy-3-pyridinyl)propan-1-amine has a molecular weight of 266.38 g/mol, XLogP of 2.95, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N,2-dimethyl-1-(5-propoxy-3-pyridinyl)propan-1-amine is sourced from PubChem (CID 116726587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).