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

C14H31NO2 — CID 116760303

IUPAC1,3-diethoxy-3-ethyl-N-propylpentan-2-amine
SMILESCCCNC(COCC)C(CC)(CC)OCC
InChIInChI=1S/C14H31NO2/c1-6-11-15-13(12-16-9-4)14(7-2,8-3)17-10-5/h13,15H,6-12H2,1-5H3
InChIKeyJBYFYPHFRMFBRD-UHFFFAOYSA-N
MW245.41 g/mol
LogP2.99
Rot. Bonds11

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

1,3-diethoxy-3-ethyl-N-propylpentan-2-amine (PubChem CID 116760303) has the molecular formula C14H31NO2 and a molecular weight of 245.41 g/mol. Its IUPAC name is 1,3-diethoxy-3-ethyl-N-propylpentan-2-amine.

Molecular Properties

Compound Name1,3-diethoxy-3-ethyl-N-propylpentan-2-amine
PubChem CID116760303
Molecular FormulaC14H31NO2
Molecular Weight245.41 g/mol
Exact Mass245.24
IUPAC Name1,3-diethoxy-3-ethyl-N-propylpentan-2-amine
SMILESCCCNC(COCC)C(CC)(CC)OCC
InChIInChI=1S/C14H31NO2/c1-6-11-15-13(12-16-9-4)14(7-2,8-3)17-10-5/h13,15H,6-12H2,1-5H3
InChIKeyJBYFYPHFRMFBRD-UHFFFAOYSA-N
XLogP2.99
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethoxy-3-ethyl-N-propyloct-6-yn-4-amine
CID 116760435
3-ethoxy-3-ethyl-N-propylnon-7-yn-4-amine
CID 116760281
3-ethoxy-3-ethyl-1-(4-methylphenyl)-N-propylpentan-2-amine
CID 116760344
1-(4-bromophenyl)-3-ethoxy-3-ethyl-N-propylpentan-2-amine
CID 116760397
3-ethoxy-3-ethyl-1-(2-methylphenyl)-N-propylpentan-2-amine
CID 116760324
2-ethoxy-2-methyl-N-propylpentan-3-amine
CID 116727014
1-ethoxy-3-methyl-3-morpholin-4-yl-N-propylpentan-2-amine
CID 79570484
1-ethoxy-N-propylbutan-2-amine
CID 62040391
3-ethoxy-3-ethyl-1-(2-methyl-1,2,4-triazol-3-yl)-N-propylpentan-2-amine
CID 116760277
3-ethoxy-3-ethyl-N-methylheptan-4-amine
CID 116759889
3-ethoxy-1-(4-fluorophenyl)-3-methyl-N-propylpentan-2-amine
CID 116759306
4-ethoxy-4-ethyl-1-(2-methylpyrazol-3-yl)-N-propylhexan-3-amine
CID 103012429

Frequently Asked Questions

What is the IUPAC name of 1,3-diethoxy-3-ethyl-N-propylpentan-2-amine?
The IUPAC name of 1,3-diethoxy-3-ethyl-N-propylpentan-2-amine (CID 116760303) is 1,3-diethoxy-3-ethyl-N-propylpentan-2-amine.
What is the SMILES notation for 1,3-diethoxy-3-ethyl-N-propylpentan-2-amine?
The canonical SMILES for 1,3-diethoxy-3-ethyl-N-propylpentan-2-amine is CCCNC(COCC)C(CC)(CC)OCC.
What is the InChIKey of 1,3-diethoxy-3-ethyl-N-propylpentan-2-amine?
The InChIKey is JBYFYPHFRMFBRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO2/c1-6-11-15-13(12-16-9-4)14(7-2,8-3)17-10-5/h13,15H,6-12H2,1-5H3.
What are the key properties of 1,3-diethoxy-3-ethyl-N-propylpentan-2-amine?
1,3-diethoxy-3-ethyl-N-propylpentan-2-amine has a molecular weight of 245.41 g/mol, XLogP of 2.99, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethoxy-3-ethyl-N-propylpentan-2-amine is sourced from PubChem (CID 116760303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).