2,4-dimethyl-N-[2-(1-methylpiperidin-4-yl)ethyl]pentan-1-amine

C15H32N2 — CID 114200185

IUPAC2,4-dimethyl-N-[2-(1-methylpiperidin-4-yl)ethyl]pentan-1-amine
SMILESCC(C)CC(C)CNCCC1CCN(C)CC1
InChIInChI=1S/C15H32N2/c1-13(2)11-14(3)12-16-8-5-15-6-9-17(4)10-7-15/h13-16H,5-12H2,1-4H3
InChIKeyLLYGMUGUTGACAO-UHFFFAOYSA-N
MW240.44 g/mol
LogP2.99
Rot. Bonds7

About 2,4-dimethyl-N-[2-(1-methylpiperidin-4-yl)ethyl]pentan-1-amine

2,4-dimethyl-N-[2-(1-methylpiperidin-4-yl)ethyl]pentan-1-amine (PubChem CID 114200185) has the molecular formula C15H32N2 and a molecular weight of 240.44 g/mol. Its IUPAC name is 2,4-dimethyl-N-[2-(1-methylpiperidin-4-yl)ethyl]pentan-1-amine.

Molecular Properties

Compound Name2,4-dimethyl-N-[2-(1-methylpiperidin-4-yl)ethyl]pentan-1-amine
PubChem CID114200185
Molecular FormulaC15H32N2
Molecular Weight240.44 g/mol
Exact Mass240.26
IUPAC Name2,4-dimethyl-N-[2-(1-methylpiperidin-4-yl)ethyl]pentan-1-amine
SMILESCC(C)CC(C)CNCCC1CCN(C)CC1
InChIInChI=1S/C15H32N2/c1-13(2)11-14(3)12-16-8-5-15-6-9-17(4)10-7-15/h13-16H,5-12H2,1-4H3
InChIKeyLLYGMUGUTGACAO-UHFFFAOYSA-N
XLogP2.99
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.44
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]propan-1-amine
CID 115876275
2,4-dimethyl-N-[2-(3-methylcyclohexyl)ethyl]pentan-1-amine
CID 114200146
[2-(1-methylpiperidin-4-yl)ethylamino]methanol
CID 115229407
N-[2-(1-methylpiperidin-4-yl)ethyl]propan-1-amine
CID 114515255
2-[2-(1-methylpiperidin-4-yl)ethylamino]ethanethiol
CID 115224308
2,3-dimethyl-1-[2-(1-methylpiperidin-4-yl)ethylamino]butan-2-ol
CID 114515594
3-methyl-2-[[2-(1-methylpyrrolidin-3-yl)ethylamino]methyl]butan-1-ol
CID 115252234
N-[2-(1-methylpiperidin-4-yl)ethyl]-1-(propylamino)propane-2-sulfonamide
CID 106082678
2-(1-methylpiperidin-4-yl)-N-(thiolan-3-ylmethyl)ethanamine
CID 107132495
N-(dicyclopropylmethyl)-2-(1-methylpiperidin-4-yl)ethanamine
CID 115717378
2-methyl-3-(1-methylpiperidin-4-yl)oxy-N-propylpropan-1-amine
CID 115003113
2-N,2-N,4-trimethyl-1-N-[(1-methylpiperidin-4-yl)methyl]pentane-1,2-diamine
CID 55099605

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[2-(1-methylpiperidin-4-yl)ethyl]pentan-1-amine?
The IUPAC name of 2,4-dimethyl-N-[2-(1-methylpiperidin-4-yl)ethyl]pentan-1-amine (CID 114200185) is 2,4-dimethyl-N-[2-(1-methylpiperidin-4-yl)ethyl]pentan-1-amine.
What is the SMILES notation for 2,4-dimethyl-N-[2-(1-methylpiperidin-4-yl)ethyl]pentan-1-amine?
The canonical SMILES for 2,4-dimethyl-N-[2-(1-methylpiperidin-4-yl)ethyl]pentan-1-amine is CC(C)CC(C)CNCCC1CCN(C)CC1.
What is the InChIKey of 2,4-dimethyl-N-[2-(1-methylpiperidin-4-yl)ethyl]pentan-1-amine?
The InChIKey is LLYGMUGUTGACAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2/c1-13(2)11-14(3)12-16-8-5-15-6-9-17(4)10-7-15/h13-16H,5-12H2,1-4H3.
What are the key properties of 2,4-dimethyl-N-[2-(1-methylpiperidin-4-yl)ethyl]pentan-1-amine?
2,4-dimethyl-N-[2-(1-methylpiperidin-4-yl)ethyl]pentan-1-amine has a molecular weight of 240.44 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[2-(1-methylpiperidin-4-yl)ethyl]pentan-1-amine is sourced from PubChem (CID 114200185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).