3-ethyl-1-(2-ethylhexyl)-N-propylpiperidin-4-amine

C18H38N2 — CID 114507677

IUPAC3-ethyl-1-(2-ethylhexyl)-N-propylpiperidin-4-amine
SMILESCCCCC(CC)CN1CCC(NCCC)C(CC)C1
InChIInChI=1S/C18H38N2/c1-5-9-10-16(7-3)14-20-13-11-18(19-12-6-2)17(8-4)15-20/h16-19H,5-15H2,1-4H3
InChIKeyXXOMNVYNZMZPKE-UHFFFAOYSA-N
MW282.52 g/mol
LogP4.30
Rot. Bonds10

About 3-ethyl-1-(2-ethylhexyl)-N-propylpiperidin-4-amine

3-ethyl-1-(2-ethylhexyl)-N-propylpiperidin-4-amine (PubChem CID 114507677) has the molecular formula C18H38N2 and a molecular weight of 282.52 g/mol. Its IUPAC name is 3-ethyl-1-(2-ethylhexyl)-N-propylpiperidin-4-amine.

Molecular Properties

Compound Name3-ethyl-1-(2-ethylhexyl)-N-propylpiperidin-4-amine
PubChem CID114507677
Molecular FormulaC18H38N2
Molecular Weight282.52 g/mol
Exact Mass282.30
IUPAC Name3-ethyl-1-(2-ethylhexyl)-N-propylpiperidin-4-amine
SMILESCCCCC(CC)CN1CCC(NCCC)C(CC)C1
InChIInChI=1S/C18H38N2/c1-5-9-10-16(7-3)14-20-13-11-18(19-12-6-2)17(8-4)15-20/h16-19H,5-15H2,1-4H3
InChIKeyXXOMNVYNZMZPKE-UHFFFAOYSA-N
XLogP4.30
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.52
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,3-diethyl-1-(2-ethylhexyl)piperidin-4-amine
CID 114507460
N,3-diethyl-1-(2-ethylbutyl)piperidin-4-amine
CID 114507419
3-[3-ethyl-4-(propylamino)piperidin-1-yl]-2-methylpropan-1-ol
CID 114507604
N-ethyl-1-(2-ethylhexyl)pyrrolidin-3-amine
CID 107815392
1-(2-ethylhexyl)-N,3-dimethylpiperidin-4-amine
CID 114499149
4-bromo-1-(2-ethylhexyl)piperidine
CID 80678889
2-[1-(2-ethylhexyl)pyrrolidin-3-yl]ethanol
CID 104627914
3-ethyl-1-(oxolan-2-ylmethyl)-N-propylpiperidin-4-amine
CID 114507661
4-(1-chloroethyl)-1-(2-ethylhexyl)piperidine
CID 106837967
1-(2-ethylhexyl)-4,6-dimethyl-1,5-diazocane
CID 107817900
3-(2-ethylhexyl)-2-methyl-N-propylcyclopentan-1-amine
CID 64908358
1-[3-ethyl-4-(propylamino)piperidin-1-yl]-2-methylpropan-1-one
CID 114449206

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(2-ethylhexyl)-N-propylpiperidin-4-amine?
The IUPAC name of 3-ethyl-1-(2-ethylhexyl)-N-propylpiperidin-4-amine (CID 114507677) is 3-ethyl-1-(2-ethylhexyl)-N-propylpiperidin-4-amine.
What is the SMILES notation for 3-ethyl-1-(2-ethylhexyl)-N-propylpiperidin-4-amine?
The canonical SMILES for 3-ethyl-1-(2-ethylhexyl)-N-propylpiperidin-4-amine is CCCCC(CC)CN1CCC(NCCC)C(CC)C1.
What is the InChIKey of 3-ethyl-1-(2-ethylhexyl)-N-propylpiperidin-4-amine?
The InChIKey is XXOMNVYNZMZPKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2/c1-5-9-10-16(7-3)14-20-13-11-18(19-12-6-2)17(8-4)15-20/h16-19H,5-15H2,1-4H3.
What are the key properties of 3-ethyl-1-(2-ethylhexyl)-N-propylpiperidin-4-amine?
3-ethyl-1-(2-ethylhexyl)-N-propylpiperidin-4-amine has a molecular weight of 282.52 g/mol, XLogP of 4.30, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(2-ethylhexyl)-N-propylpiperidin-4-amine is sourced from PubChem (CID 114507677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).