2-ethyl-N-methyl-2-[(4-propan-2-ylpiperazin-1-yl)methyl]butan-1-amine

C15H33N3 — CID 55051637

IUPAC2-ethyl-N-methyl-2-[(4-propan-2-ylpiperazin-1-yl)methyl]butan-1-amine
SMILESCCC(CC)(CNC)CN1CCN(C(C)C)CC1
InChIInChI=1S/C15H33N3/c1-6-15(7-2,12-16-5)13-17-8-10-18(11-9-17)14(3)4/h14,16H,6-13H2,1-5H3
InChIKeyWIAASVQICDKEEW-UHFFFAOYSA-N
MW255.45 g/mol
LogP2.04
Rot. Bonds7

About 2-ethyl-N-methyl-2-[(4-propan-2-ylpiperazin-1-yl)methyl]butan-1-amine

2-ethyl-N-methyl-2-[(4-propan-2-ylpiperazin-1-yl)methyl]butan-1-amine (PubChem CID 55051637) has the molecular formula C15H33N3 and a molecular weight of 255.45 g/mol. Its IUPAC name is 2-ethyl-N-methyl-2-[(4-propan-2-ylpiperazin-1-yl)methyl]butan-1-amine.

Molecular Properties

Compound Name2-ethyl-N-methyl-2-[(4-propan-2-ylpiperazin-1-yl)methyl]butan-1-amine
PubChem CID55051637
Molecular FormulaC15H33N3
Molecular Weight255.45 g/mol
Exact Mass255.27
IUPAC Name2-ethyl-N-methyl-2-[(4-propan-2-ylpiperazin-1-yl)methyl]butan-1-amine
SMILESCCC(CC)(CNC)CN1CCN(C(C)C)CC1
InChIInChI=1S/C15H33N3/c1-6-15(7-2,12-16-5)13-17-8-10-18(11-9-17)14(3)4/h14,16H,6-13H2,1-5H3
InChIKeyWIAASVQICDKEEW-UHFFFAOYSA-N
XLogP2.04
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-tert-butylpiperazin-1-yl)methyl]-2-ethyl-N-methylbutan-1-amine
CID 55056208
2-ethyl-N-(2-methylpropyl)-2-(pyrrolidin-1-ylmethyl)butan-1-amine
CID 55051897
2-ethyl-N,N'-dimethyl-2-(methylaminomethyl)propane-1,3-diamine
CID 59289836
2-[(3,5-dimethylpiperidin-1-yl)methyl]-2-ethyl-N-methylbutan-1-amine
CID 62263702
2-[(4-butan-2-ylpiperazin-1-yl)methyl]-N,2-dimethylpentan-1-amine
CID 62773673
[1-[2-ethyl-2-(methylaminomethyl)butyl]pyrrolidin-3-yl]methanol
CID 112629064
N-tert-butyl-2-ethyl-2-(thiomorpholin-4-ylmethyl)butan-1-amine
CID 62263810
ethane;1-propan-2-yl-4-(2,2,4-trimethylpentyl)piperazine
CID 145194127
N-methyl-1-[1-[(4-propan-2-ylpiperazin-1-yl)methyl]cyclopentyl]methanamine
CID 62257004
1-(2,2,4,4,5-pentamethylhexyl)-4-propan-2-ylpiperazine
CID 162767005
1-[2-ethyl-2-[(2-methylpropylamino)methyl]butyl]piperidin-4-ol
CID 62263890
2-[(4-cyclopropylpiperazin-1-yl)methyl]-N,2-diethylbutan-1-amine
CID 55056218

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-methyl-2-[(4-propan-2-ylpiperazin-1-yl)methyl]butan-1-amine?
The IUPAC name of 2-ethyl-N-methyl-2-[(4-propan-2-ylpiperazin-1-yl)methyl]butan-1-amine (CID 55051637) is 2-ethyl-N-methyl-2-[(4-propan-2-ylpiperazin-1-yl)methyl]butan-1-amine.
What is the SMILES notation for 2-ethyl-N-methyl-2-[(4-propan-2-ylpiperazin-1-yl)methyl]butan-1-amine?
The canonical SMILES for 2-ethyl-N-methyl-2-[(4-propan-2-ylpiperazin-1-yl)methyl]butan-1-amine is CCC(CC)(CNC)CN1CCN(C(C)C)CC1.
What is the InChIKey of 2-ethyl-N-methyl-2-[(4-propan-2-ylpiperazin-1-yl)methyl]butan-1-amine?
The InChIKey is WIAASVQICDKEEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N3/c1-6-15(7-2,12-16-5)13-17-8-10-18(11-9-17)14(3)4/h14,16H,6-13H2,1-5H3.
What are the key properties of 2-ethyl-N-methyl-2-[(4-propan-2-ylpiperazin-1-yl)methyl]butan-1-amine?
2-ethyl-N-methyl-2-[(4-propan-2-ylpiperazin-1-yl)methyl]butan-1-amine has a molecular weight of 255.45 g/mol, XLogP of 2.04, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-methyl-2-[(4-propan-2-ylpiperazin-1-yl)methyl]butan-1-amine is sourced from PubChem (CID 55051637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).