2-ethoxy-2-methyl-1-(4-methyl-3-pyridinyl)-N-propylbutan-1-amine

C16H28N2O — CID 116759381

IUPAC2-ethoxy-2-methyl-1-(4-methyl-3-pyridinyl)-N-propylbutan-1-amine
SMILESCCCNC(c1cnccc1C)C(C)(CC)OCC
InChIInChI=1S/C16H28N2O/c1-6-10-18-15(16(5,7-2)19-8-3)14-12-17-11-9-13(14)4/h9,11-12,15,18H,6-8,10H2,1-5H3
InChIKeyXKICTIQOZRVAKE-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.64
Rot. Bonds8

About 2-ethoxy-2-methyl-1-(4-methyl-3-pyridinyl)-N-propylbutan-1-amine

2-ethoxy-2-methyl-1-(4-methyl-3-pyridinyl)-N-propylbutan-1-amine (PubChem CID 116759381) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 2-ethoxy-2-methyl-1-(4-methyl-3-pyridinyl)-N-propylbutan-1-amine.

Molecular Properties

Compound Name2-ethoxy-2-methyl-1-(4-methyl-3-pyridinyl)-N-propylbutan-1-amine
PubChem CID116759381
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name2-ethoxy-2-methyl-1-(4-methyl-3-pyridinyl)-N-propylbutan-1-amine
SMILESCCCNC(c1cnccc1C)C(C)(CC)OCC
InChIInChI=1S/C16H28N2O/c1-6-10-18-15(16(5,7-2)19-8-3)14-12-17-11-9-13(14)4/h9,11-12,15,18H,6-8,10H2,1-5H3
InChIKeyXKICTIQOZRVAKE-UHFFFAOYSA-N
XLogP3.64
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N,2-N,2-trimethyl-1-(4-methyl-3-pyridinyl)-1-N-propylbutane-1,2-diamine
CID 79063909
2-ethoxy-N-ethyl-1-isoquinolin-8-yl-2-methylbutan-1-amine
CID 103143830
3-ethoxy-3-methyl-N-propyl-1-pyridin-4-ylpentan-2-amine
CID 116759285
2-methoxy-2-methyl-1-(2-methylphenyl)-N-propylbutan-1-amine
CID 116758324
2-ethoxy-1-(furan-2-yl)-2-methyl-N-propylbutan-1-amine
CID 116759333
2-ethoxy-1-(furan-3-yl)-2-methyl-N-propylbutan-1-amine
CID 116759332
1-(2,6-difluorophenyl)-2-ethoxy-2-methyl-N-propylbutan-1-amine
CID 116759422
2-ethoxy-1-(5-fluoro-2-methoxyphenyl)-2-methyl-N-propylbutan-1-amine
CID 116759257
N-[(4-methyl-3-pyridinyl)-pyridin-4-ylmethyl]propan-1-amine
CID 66271195
1-(3,5-difluorophenyl)-2-ethoxy-2-methyl-N-propylbutan-1-amine
CID 116759448
4-(4-methyl-3-pyridinyl)-N-propylpentan-2-amine
CID 66272751
1-(3-chloro-4-pyridinyl)-2,2-dimethyl-N-propylpropan-1-amine
CID 105146058

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-2-methyl-1-(4-methyl-3-pyridinyl)-N-propylbutan-1-amine?
The IUPAC name of 2-ethoxy-2-methyl-1-(4-methyl-3-pyridinyl)-N-propylbutan-1-amine (CID 116759381) is 2-ethoxy-2-methyl-1-(4-methyl-3-pyridinyl)-N-propylbutan-1-amine.
What is the SMILES notation for 2-ethoxy-2-methyl-1-(4-methyl-3-pyridinyl)-N-propylbutan-1-amine?
The canonical SMILES for 2-ethoxy-2-methyl-1-(4-methyl-3-pyridinyl)-N-propylbutan-1-amine is CCCNC(c1cnccc1C)C(C)(CC)OCC.
What is the InChIKey of 2-ethoxy-2-methyl-1-(4-methyl-3-pyridinyl)-N-propylbutan-1-amine?
The InChIKey is XKICTIQOZRVAKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-6-10-18-15(16(5,7-2)19-8-3)14-12-17-11-9-13(14)4/h9,11-12,15,18H,6-8,10H2,1-5H3.
What are the key properties of 2-ethoxy-2-methyl-1-(4-methyl-3-pyridinyl)-N-propylbutan-1-amine?
2-ethoxy-2-methyl-1-(4-methyl-3-pyridinyl)-N-propylbutan-1-amine has a molecular weight of 264.41 g/mol, XLogP of 3.64, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-2-methyl-1-(4-methyl-3-pyridinyl)-N-propylbutan-1-amine is sourced from PubChem (CID 116759381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).