2-(3-ethyl-4-methylpiperazin-1-yl)-2,4-dimethylpentan-1-amine

C14H31N3 — CID 55217144

IUPAC2-(3-ethyl-4-methylpiperazin-1-yl)-2,4-dimethylpentan-1-amine
SMILESCCC1CN(C(C)(CN)CC(C)C)CCN1C
InChIInChI=1S/C14H31N3/c1-6-13-10-17(8-7-16(13)5)14(4,11-15)9-12(2)3/h12-13H,6-11,15H2,1-5H3
InChIKeyYCUCPQFEVBZQFG-UHFFFAOYSA-N
MW241.42 g/mol
LogP1.78
Rot. Bonds5

About 2-(3-ethyl-4-methylpiperazin-1-yl)-2,4-dimethylpentan-1-amine

2-(3-ethyl-4-methylpiperazin-1-yl)-2,4-dimethylpentan-1-amine (PubChem CID 55217144) has the molecular formula C14H31N3 and a molecular weight of 241.42 g/mol. Its IUPAC name is 2-(3-ethyl-4-methylpiperazin-1-yl)-2,4-dimethylpentan-1-amine.

Molecular Properties

Compound Name2-(3-ethyl-4-methylpiperazin-1-yl)-2,4-dimethylpentan-1-amine
PubChem CID55217144
Molecular FormulaC14H31N3
Molecular Weight241.42 g/mol
Exact Mass241.25
IUPAC Name2-(3-ethyl-4-methylpiperazin-1-yl)-2,4-dimethylpentan-1-amine
SMILESCCC1CN(C(C)(CN)CC(C)C)CCN1C
InChIInChI=1S/C14H31N3/c1-6-13-10-17(8-7-16(13)5)14(4,11-15)9-12(2)3/h12-13H,6-11,15H2,1-5H3
InChIKeyYCUCPQFEVBZQFG-UHFFFAOYSA-N
XLogP1.78
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dimethyl-2-(4-propylpiperazin-1-yl)pentan-1-amine
CID 24705230
2,4-dimethyl-2-(2-methylmorpholin-4-yl)pentan-1-amine
CID 24706624
2-(2-ethyl-1,4-oxazepan-4-yl)-2,4-dimethylpentan-1-amine
CID 114218328
2-(3,4-dimethoxypyrrolidin-1-yl)-2,4-dimethylpentan-1-amine
CID 103531727
2-(2-ethyl-5-methylpyrrolidin-1-yl)-2,4-dimethylpentan-1-amine
CID 83226985
2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-2,4-dimethylpentan-1-amine
CID 63150020
2-(2,5-dihydropyrrol-1-yl)-2,4-dimethylpentan-1-amine
CID 115310339
3-amino-1-(3-ethyl-4-methylpiperazin-1-yl)-2,2-dimethylpropan-1-one
CID 63610949
2-(8-azaspiro[4.5]decan-8-yl)-2,4-dimethylpentan-1-amine
CID 63157462
2-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-2-methylpentan-1-amine
CID 63621256
3-(3-ethyl-4-methylpiperazin-1-yl)butan-2-amine
CID 63610693
(2S)-1-(3-ethyl-4-methylpiperazin-1-yl)propan-2-amine
CID 103934660

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-4-methylpiperazin-1-yl)-2,4-dimethylpentan-1-amine?
The IUPAC name of 2-(3-ethyl-4-methylpiperazin-1-yl)-2,4-dimethylpentan-1-amine (CID 55217144) is 2-(3-ethyl-4-methylpiperazin-1-yl)-2,4-dimethylpentan-1-amine.
What is the SMILES notation for 2-(3-ethyl-4-methylpiperazin-1-yl)-2,4-dimethylpentan-1-amine?
The canonical SMILES for 2-(3-ethyl-4-methylpiperazin-1-yl)-2,4-dimethylpentan-1-amine is CCC1CN(C(C)(CN)CC(C)C)CCN1C.
What is the InChIKey of 2-(3-ethyl-4-methylpiperazin-1-yl)-2,4-dimethylpentan-1-amine?
The InChIKey is YCUCPQFEVBZQFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3/c1-6-13-10-17(8-7-16(13)5)14(4,11-15)9-12(2)3/h12-13H,6-11,15H2,1-5H3.
What are the key properties of 2-(3-ethyl-4-methylpiperazin-1-yl)-2,4-dimethylpentan-1-amine?
2-(3-ethyl-4-methylpiperazin-1-yl)-2,4-dimethylpentan-1-amine has a molecular weight of 241.42 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-4-methylpiperazin-1-yl)-2,4-dimethylpentan-1-amine is sourced from PubChem (CID 55217144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).