N-(2-amino-2-ethylbutyl)-3-(4-ethylpiperazin-1-yl)propanamide;dihydrochloride

C15H34Cl2N4O — CID 119642164

IUPACN-(2-amino-2-ethylbutyl)-3-(4-ethylpiperazin-1-yl)propanamide;dihydrochloride
SMILESCCN1CCN(CCC(=O)NCC(N)(CC)CC)CC1.Cl.Cl
InChIInChI=1S/C15H32N4O.2ClH/c1-4-15(16,5-2)13-17-14(20)7-8-19-11-9-18(6-3)10-12-19;;/h4-13,16H2,1-3H3,(H,17,20);2*1H
InChIKeySLOAWQMHOMDEIO-UHFFFAOYSA-N
MW357.37 g/mol
LogP1.49
Rot. Bonds8

About N-(2-amino-2-ethylbutyl)-3-(4-ethylpiperazin-1-yl)propanamide;dihydrochloride

N-(2-amino-2-ethylbutyl)-3-(4-ethylpiperazin-1-yl)propanamide;dihydrochloride (PubChem CID 119642164) has the molecular formula C15H34Cl2N4O and a molecular weight of 357.37 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-3-(4-ethylpiperazin-1-yl)propanamide;dihydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-3-(4-ethylpiperazin-1-yl)propanamide;dihydrochloride
PubChem CID119642164
Molecular FormulaC15H34Cl2N4O
Molecular Weight357.37 g/mol
Exact Mass356.21
IUPAC NameN-(2-amino-2-ethylbutyl)-3-(4-ethylpiperazin-1-yl)propanamide;dihydrochloride
SMILESCCN1CCN(CCC(=O)NCC(N)(CC)CC)CC1.Cl.Cl
InChIInChI=1S/C15H32N4O.2ClH/c1-4-15(16,5-2)13-17-14(20)7-8-19-11-9-18(6-3)10-12-19;;/h4-13,16H2,1-3H3,(H,17,20);2*1H
InChIKeySLOAWQMHOMDEIO-UHFFFAOYSA-N
XLogP1.49
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-3-(4-ethylpiperazin-1-yl)propanamide
CID 109012188
N'-(2-amino-2-ethylbutyl)-N-ethylpentanediamide;hydrochloride
CID 119643328
3-[4-(2-aminoethyl)piperazin-1-yl]-N-ethylpropanamide
CID 62325479
N-[3-(4-ethylpiperazin-1-yl)propyl]pentanamide
CID 144835640
N-(2-amino-2-ethylbutyl)-4-cyclopentylbutanamide;hydrochloride
CID 119644018
3-(4-ethylpiperazin-1-yl)-N-(3-methylbut-2-en-2-yl)propanamide
CID 123304936
4-(4-ethylpiperazin-1-yl)butan-2-one
CID 20802873
1-(4-ethylpiperazin-1-yl)-4,4-dimethylpentan-3-one
CID 62625465
N-(2-amino-2-ethylbutyl)-4-(2,5-dioxoimidazolidin-1-yl)butanamide
CID 119639591
N-(2-amino-2-ethylbutyl)-2-(diethylamino)acetamide;dihydrochloride
CID 119640041
3-(4-methylpiperazin-1-yl)-N-propylpropanamide
CID 109011333
3-(dimethylamino)-N-[3-(4-ethylpiperazin-1-yl)propyl]propanamide
CID 110442446

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-3-(4-ethylpiperazin-1-yl)propanamide;dihydrochloride?
The IUPAC name of N-(2-amino-2-ethylbutyl)-3-(4-ethylpiperazin-1-yl)propanamide;dihydrochloride (CID 119642164) is N-(2-amino-2-ethylbutyl)-3-(4-ethylpiperazin-1-yl)propanamide;dihydrochloride.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-3-(4-ethylpiperazin-1-yl)propanamide;dihydrochloride?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-3-(4-ethylpiperazin-1-yl)propanamide;dihydrochloride is CCN1CCN(CCC(=O)NCC(N)(CC)CC)CC1.Cl.Cl.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-3-(4-ethylpiperazin-1-yl)propanamide;dihydrochloride?
The InChIKey is SLOAWQMHOMDEIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N4O.2ClH/c1-4-15(16,5-2)13-17-14(20)7-8-19-11-9-18(6-3)10-12-19;;/h4-13,16H2,1-3H3,(H,17,20);2*1H.
What are the key properties of N-(2-amino-2-ethylbutyl)-3-(4-ethylpiperazin-1-yl)propanamide;dihydrochloride?
N-(2-amino-2-ethylbutyl)-3-(4-ethylpiperazin-1-yl)propanamide;dihydrochloride has a molecular weight of 357.37 g/mol, XLogP of 1.49, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-ethylbutyl)-3-(4-ethylpiperazin-1-yl)propanamide;dihydrochloride is sourced from PubChem (CID 119642164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).