2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-ethyl-4-methylhexan-1-amine

C17H38N4 — CID 62886088

IUPAC2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-ethyl-4-methylhexan-1-amine
SMILESCCC(C)CC(CC)(CN)N1CCN(CCN(C)C)CC1
InChIInChI=1S/C17H38N4/c1-6-16(3)14-17(7-2,15-18)21-12-10-20(11-13-21)9-8-19(4)5/h16H,6-15,18H2,1-5H3
InChIKeyHAIIGPMBMILQHB-UHFFFAOYSA-N
MW298.52 g/mol
LogP1.71
Rot. Bonds9

About 2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-ethyl-4-methylhexan-1-amine

2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-ethyl-4-methylhexan-1-amine (PubChem CID 62886088) has the molecular formula C17H38N4 and a molecular weight of 298.52 g/mol. Its IUPAC name is 2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-ethyl-4-methylhexan-1-amine.

Molecular Properties

Compound Name2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-ethyl-4-methylhexan-1-amine
PubChem CID62886088
Molecular FormulaC17H38N4
Molecular Weight298.52 g/mol
Exact Mass298.31
IUPAC Name2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-ethyl-4-methylhexan-1-amine
SMILESCCC(C)CC(CC)(CN)N1CCN(CCN(C)C)CC1
InChIInChI=1S/C17H38N4/c1-6-16(3)14-17(7-2,15-18)21-12-10-20(11-13-21)9-8-19(4)5/h16H,6-15,18H2,1-5H3
InChIKeyHAIIGPMBMILQHB-UHFFFAOYSA-N
XLogP1.71
TPSA35.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.52
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-cyclopentylpiperazin-1-yl)-2-ethyl-4-methylhexan-1-amine
CID 62368087
2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-methylpentan-1-amine
CID 62885409
2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-ethyl-4-methylhexan-1-amine
CID 62885740
3-(aminomethyl)pentan-3-ol;N,N-dimethyl-2-(4-methylpiperazin-1-yl)ethanamine
CID 67737589
1-amino-4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-methylpentan-2-ol
CID 64820717
3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-methyl-N-propan-2-ylpropan-1-amine
CID 62888034
3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-methylbutan-1-amine
CID 79408430
3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]pentan-1-amine
CID 43253206
N,N-dimethyl-2-[4-(3-methylbutyl)piperazin-1-yl]ethanamine
CID 164595282
2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-4,4-dimethylpentan-1-amine
CID 62951340
2-ethyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-amine
CID 43173290
2-ethyl-4-methyl-2-(3-methylmorpholin-4-yl)hexan-1-amine
CID 43541962

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-ethyl-4-methylhexan-1-amine?
The IUPAC name of 2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-ethyl-4-methylhexan-1-amine (CID 62886088) is 2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-ethyl-4-methylhexan-1-amine.
What is the SMILES notation for 2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-ethyl-4-methylhexan-1-amine?
The canonical SMILES for 2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-ethyl-4-methylhexan-1-amine is CCC(C)CC(CC)(CN)N1CCN(CCN(C)C)CC1.
What is the InChIKey of 2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-ethyl-4-methylhexan-1-amine?
The InChIKey is HAIIGPMBMILQHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H38N4/c1-6-16(3)14-17(7-2,15-18)21-12-10-20(11-13-21)9-8-19(4)5/h16H,6-15,18H2,1-5H3.
What are the key properties of 2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-ethyl-4-methylhexan-1-amine?
2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-ethyl-4-methylhexan-1-amine has a molecular weight of 298.52 g/mol, XLogP of 1.71, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-ethyl-4-methylhexan-1-amine is sourced from PubChem (CID 62886088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).