1,3-diethoxy-N-propylpentan-2-amine

C12H27NO2 — CID 116717107

IUPAC1,3-diethoxy-N-propylpentan-2-amine
SMILESCCCNC(COCC)C(CC)OCC
InChIInChI=1S/C12H27NO2/c1-5-9-13-11(10-14-7-3)12(6-2)15-8-4/h11-13H,5-10H2,1-4H3
InChIKeyNGQRAXCYEIGEFU-UHFFFAOYSA-N
MW217.35 g/mol
LogP2.21
Rot. Bonds10

About 1,3-diethoxy-N-propylpentan-2-amine

1,3-diethoxy-N-propylpentan-2-amine (PubChem CID 116717107) has the molecular formula C12H27NO2 and a molecular weight of 217.35 g/mol. Its IUPAC name is 1,3-diethoxy-N-propylpentan-2-amine.

Molecular Properties

Compound Name1,3-diethoxy-N-propylpentan-2-amine
PubChem CID116717107
Molecular FormulaC12H27NO2
Molecular Weight217.35 g/mol
Exact Mass217.20
IUPAC Name1,3-diethoxy-N-propylpentan-2-amine
SMILESCCCNC(COCC)C(CC)OCC
InChIInChI=1S/C12H27NO2/c1-5-9-13-11(10-14-7-3)12(6-2)15-8-4/h11-13H,5-10H2,1-4H3
InChIKeyNGQRAXCYEIGEFU-UHFFFAOYSA-N
XLogP2.21
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.35
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethoxy-N-propyltridecan-4-amine
CID 116717144
3-ethoxy-N-propyl-1-pyridin-4-ylpentan-2-amine
CID 116717105
1-ethoxy-3-ethyl-N-propylheptan-2-amine
CID 105007894
3-ethoxy-1-(2-methylphenyl)-N-propylpentan-2-amine
CID 116717295
1-ethoxy-N-propylbutan-2-amine
CID 62040391
3-ethoxy-5-methyl-N-propylheptan-4-amine
CID 116717268
3-ethoxy-1-(2-methoxy-5-methylphenyl)-N-propylpentan-2-amine
CID 116717260
4-ethoxy-1-(4-methoxyphenyl)-N-propylhexan-3-amine
CID 116717162
1-(5-bromothiophen-2-yl)-3-ethoxy-N-propylpentan-2-amine
CID 116717090
3-ethoxy-1-(4-fluoro-2-methylphenyl)-N-propylpentan-2-amine
CID 114348350
3-ethoxy-1-(1-methylpyrazol-4-yl)-N-propylpentan-2-amine
CID 116717153
1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-3-ethoxy-N-propylpentan-2-amine
CID 116717324

Frequently Asked Questions

What is the IUPAC name of 1,3-diethoxy-N-propylpentan-2-amine?
The IUPAC name of 1,3-diethoxy-N-propylpentan-2-amine (CID 116717107) is 1,3-diethoxy-N-propylpentan-2-amine.
What is the SMILES notation for 1,3-diethoxy-N-propylpentan-2-amine?
The canonical SMILES for 1,3-diethoxy-N-propylpentan-2-amine is CCCNC(COCC)C(CC)OCC.
What is the InChIKey of 1,3-diethoxy-N-propylpentan-2-amine?
The InChIKey is NGQRAXCYEIGEFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO2/c1-5-9-13-11(10-14-7-3)12(6-2)15-8-4/h11-13H,5-10H2,1-4H3.
What are the key properties of 1,3-diethoxy-N-propylpentan-2-amine?
1,3-diethoxy-N-propylpentan-2-amine has a molecular weight of 217.35 g/mol, XLogP of 2.21, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethoxy-N-propylpentan-2-amine is sourced from PubChem (CID 116717107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).