1-ethoxy-4-ethyl-N-propylhexan-2-amine

C13H29NO — CID 82922255

IUPAC1-ethoxy-4-ethyl-N-propylhexan-2-amine
SMILESCCCNC(COCC)CC(CC)CC
InChIInChI=1S/C13H29NO/c1-5-9-14-13(11-15-8-4)10-12(6-2)7-3/h12-14H,5-11H2,1-4H3
InChIKeyCITWSWHLTOMOTM-UHFFFAOYSA-N
MW215.38 g/mol
LogP3.22
Rot. Bonds10

About 1-ethoxy-4-ethyl-N-propylhexan-2-amine

1-ethoxy-4-ethyl-N-propylhexan-2-amine (PubChem CID 82922255) has the molecular formula C13H29NO and a molecular weight of 215.38 g/mol. Its IUPAC name is 1-ethoxy-4-ethyl-N-propylhexan-2-amine.

Molecular Properties

Compound Name1-ethoxy-4-ethyl-N-propylhexan-2-amine
PubChem CID82922255
Molecular FormulaC13H29NO
Molecular Weight215.38 g/mol
Exact Mass215.22
IUPAC Name1-ethoxy-4-ethyl-N-propylhexan-2-amine
SMILESCCCNC(COCC)CC(CC)CC
InChIInChI=1S/C13H29NO/c1-5-9-14-13(11-15-8-4)10-12(6-2)7-3/h12-14H,5-11H2,1-4H3
InChIKeyCITWSWHLTOMOTM-UHFFFAOYSA-N
XLogP3.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethoxy-N-propylbutan-2-amine
CID 62040391
1-ethoxy-3-ethylsulfanyl-N-propylpropan-2-amine
CID 79574875
6-ethyl-2,2-dimethyl-N-propyloctan-4-amine
CID 82923150
4-ethyl-1-ethylsulfanyl-N-propylhexan-2-amine
CID 82923156
1-(2-methylpropoxy)-N-propylbutan-2-amine
CID 62041041
2-(ethoxymethyl)-N-propylbutan-1-amine
CID 103984257
(1-ethoxy-4-ethyloctan-2-yl)hydrazine
CID 105235252
1-(1,3-dioxolan-2-yl)-3-ethoxy-N-propylpropan-2-amine
CID 103546950
4-ethoxy-1-propoxy-N-propylbutan-2-amine
CID 112688262
3,5-diethyl-N-propylheptan-2-amine
CID 82928149
4-cyclohexyl-1-ethoxy-N-propylbutan-2-amine
CID 105008032
1-hexoxy-N-propylbutan-2-amine
CID 62039776

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-4-ethyl-N-propylhexan-2-amine?
The IUPAC name of 1-ethoxy-4-ethyl-N-propylhexan-2-amine (CID 82922255) is 1-ethoxy-4-ethyl-N-propylhexan-2-amine.
What is the SMILES notation for 1-ethoxy-4-ethyl-N-propylhexan-2-amine?
The canonical SMILES for 1-ethoxy-4-ethyl-N-propylhexan-2-amine is CCCNC(COCC)CC(CC)CC.
What is the InChIKey of 1-ethoxy-4-ethyl-N-propylhexan-2-amine?
The InChIKey is CITWSWHLTOMOTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO/c1-5-9-14-13(11-15-8-4)10-12(6-2)7-3/h12-14H,5-11H2,1-4H3.
What are the key properties of 1-ethoxy-4-ethyl-N-propylhexan-2-amine?
1-ethoxy-4-ethyl-N-propylhexan-2-amine has a molecular weight of 215.38 g/mol, XLogP of 3.22, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-4-ethyl-N-propylhexan-2-amine is sourced from PubChem (CID 82922255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).