1-(2-ethylhexyl)-N,3-dimethylpiperidin-4-amine

C15H32N2 — CID 114499149

IUPAC1-(2-ethylhexyl)-N,3-dimethylpiperidin-4-amine
SMILESCCCCC(CC)CN1CCC(NC)C(C)C1
InChIInChI=1S/C15H32N2/c1-5-7-8-14(6-2)12-17-10-9-15(16-4)13(3)11-17/h13-16H,5-12H2,1-4H3
InChIKeyJVBAOHREQIRTPA-UHFFFAOYSA-N
MW240.43 g/mol
LogP3.13
Rot. Bonds7

About 1-(2-ethylhexyl)-N,3-dimethylpiperidin-4-amine

1-(2-ethylhexyl)-N,3-dimethylpiperidin-4-amine (PubChem CID 114499149) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is 1-(2-ethylhexyl)-N,3-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-(2-ethylhexyl)-N,3-dimethylpiperidin-4-amine
PubChem CID114499149
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC Name1-(2-ethylhexyl)-N,3-dimethylpiperidin-4-amine
SMILESCCCCC(CC)CN1CCC(NC)C(C)C1
InChIInChI=1S/C15H32N2/c1-5-7-8-14(6-2)12-17-10-9-15(16-4)13(3)11-17/h13-16H,5-12H2,1-4H3
InChIKeyJVBAOHREQIRTPA-UHFFFAOYSA-N
XLogP3.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,4S)-1-ethyl-N,3-dimethylpiperidin-4-amine
CID 94244956
N-ethyl-1-(2-ethylhexyl)pyrrolidin-3-amine
CID 107815392
N,3-diethyl-1-(2-ethylhexyl)piperidin-4-amine
CID 114507460
1-(2-ethylhexyl)-4,6-dimethyl-1,5-diazocane
CID 107817900
3-ethyl-1-(2-ethylhexyl)-N-propylpiperidin-4-amine
CID 114507677
1-(2-ethylhexyl)-4-methylpyrrolidin-3-amine
CID 103576746
4-bromo-1-(2-ethylhexyl)piperidine
CID 80678889
2-[1-(2-ethylhexyl)pyrrolidin-3-yl]ethanol
CID 104627914
4-(1-chloroethyl)-1-(2-ethylhexyl)piperidine
CID 106837967
3-[3-methyl-4-(methylamino)piperidin-1-yl]propan-1-ol
CID 114499058
1-(2-ethylhexyl)-3-methyl-1,4-diazepane
CID 64859197
N-[[1-(2-ethylhexyl)piperidin-4-yl]methyl]-2-methylpropan-2-amine
CID 62592756

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylhexyl)-N,3-dimethylpiperidin-4-amine?
The IUPAC name of 1-(2-ethylhexyl)-N,3-dimethylpiperidin-4-amine (CID 114499149) is 1-(2-ethylhexyl)-N,3-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-(2-ethylhexyl)-N,3-dimethylpiperidin-4-amine?
The canonical SMILES for 1-(2-ethylhexyl)-N,3-dimethylpiperidin-4-amine is CCCCC(CC)CN1CCC(NC)C(C)C1.
What is the InChIKey of 1-(2-ethylhexyl)-N,3-dimethylpiperidin-4-amine?
The InChIKey is JVBAOHREQIRTPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2/c1-5-7-8-14(6-2)12-17-10-9-15(16-4)13(3)11-17/h13-16H,5-12H2,1-4H3.
What are the key properties of 1-(2-ethylhexyl)-N,3-dimethylpiperidin-4-amine?
1-(2-ethylhexyl)-N,3-dimethylpiperidin-4-amine has a molecular weight of 240.43 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylhexyl)-N,3-dimethylpiperidin-4-amine is sourced from PubChem (CID 114499149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).