N-ethyl-4-(3,3,4-trimethylpiperazin-1-yl)pentan-1-amine

C14H31N3 — CID 63620156

IUPACN-ethyl-4-(3,3,4-trimethylpiperazin-1-yl)pentan-1-amine
SMILESCCNCCCC(C)N1CCN(C)C(C)(C)C1
InChIInChI=1S/C14H31N3/c1-6-15-9-7-8-13(2)17-11-10-16(5)14(3,4)12-17/h13,15H,6-12H2,1-5H3
InChIKeyXDFFOUCYNQOEFF-UHFFFAOYSA-N
MW241.42 g/mol
LogP1.79
Rot. Bonds6

About N-ethyl-4-(3,3,4-trimethylpiperazin-1-yl)pentan-1-amine

N-ethyl-4-(3,3,4-trimethylpiperazin-1-yl)pentan-1-amine (PubChem CID 63620156) has the molecular formula C14H31N3 and a molecular weight of 241.42 g/mol. Its IUPAC name is N-ethyl-4-(3,3,4-trimethylpiperazin-1-yl)pentan-1-amine.

Molecular Properties

Compound NameN-ethyl-4-(3,3,4-trimethylpiperazin-1-yl)pentan-1-amine
PubChem CID63620156
Molecular FormulaC14H31N3
Molecular Weight241.42 g/mol
Exact Mass241.25
IUPAC NameN-ethyl-4-(3,3,4-trimethylpiperazin-1-yl)pentan-1-amine
SMILESCCNCCCC(C)N1CCN(C)C(C)(C)C1
InChIInChI=1S/C14H31N3/c1-6-15-9-7-8-13(2)17-11-10-16(5)14(3,4)12-17/h13,15H,6-12H2,1-5H3
InChIKeyXDFFOUCYNQOEFF-UHFFFAOYSA-N
XLogP1.79
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-4-thiomorpholin-4-ylpentan-1-amine
CID 62417328
N-ethyl-4-[4-(2-methylpropyl)piperazin-1-yl]pentan-1-amine
CID 62776961
N-propyl-2-(3,3,4-trimethylpiperazin-1-yl)butan-1-amine
CID 55216237
N-ethyl-3-(4-methylpiperazin-1-yl)butan-1-amine
CID 62437944
2-methyl-2-(propylamino)-4-(3,3,4-trimethylpiperazin-1-yl)pentanenitrile
CID 64726331
3-(4,4-diethylpiperidin-1-yl)-N-ethylbutan-1-amine
CID 63163529
ethyl 2-(3,3,4-trimethylpiperazin-1-yl)propanoate
CID 63610423
N-propyl-3-(3,3,4-trimethylpiperazin-1-yl)heptan-4-amine
CID 63610035
1-(ethylamino)-3-(3,3,4-trimethylpiperazin-1-yl)propan-2-ol
CID 63608756
N-ethyl-4-[4-(4-fluorophenyl)piperazin-1-yl]pentan-1-amine
CID 62424032
3-(3,3,4-trimethylpiperazin-1-yl)butanimidamide
CID 63610753
4-(4,4-dimethylazepan-1-yl)-N-propylpentan-1-amine
CID 65286715

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(3,3,4-trimethylpiperazin-1-yl)pentan-1-amine?
The IUPAC name of N-ethyl-4-(3,3,4-trimethylpiperazin-1-yl)pentan-1-amine (CID 63620156) is N-ethyl-4-(3,3,4-trimethylpiperazin-1-yl)pentan-1-amine.
What is the SMILES notation for N-ethyl-4-(3,3,4-trimethylpiperazin-1-yl)pentan-1-amine?
The canonical SMILES for N-ethyl-4-(3,3,4-trimethylpiperazin-1-yl)pentan-1-amine is CCNCCCC(C)N1CCN(C)C(C)(C)C1.
What is the InChIKey of N-ethyl-4-(3,3,4-trimethylpiperazin-1-yl)pentan-1-amine?
The InChIKey is XDFFOUCYNQOEFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3/c1-6-15-9-7-8-13(2)17-11-10-16(5)14(3,4)12-17/h13,15H,6-12H2,1-5H3.
What are the key properties of N-ethyl-4-(3,3,4-trimethylpiperazin-1-yl)pentan-1-amine?
N-ethyl-4-(3,3,4-trimethylpiperazin-1-yl)pentan-1-amine has a molecular weight of 241.42 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(3,3,4-trimethylpiperazin-1-yl)pentan-1-amine is sourced from PubChem (CID 63620156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).