N-ethyl-4-[4-(2-methylpropyl)piperazin-1-yl]pentan-1-amine

C15H33N3 — CID 62776961

IUPACN-ethyl-4-[4-(2-methylpropyl)piperazin-1-yl]pentan-1-amine
SMILESCCNCCCC(C)N1CCN(CC(C)C)CC1
InChIInChI=1S/C15H33N3/c1-5-16-8-6-7-15(4)18-11-9-17(10-12-18)13-14(2)3/h14-16H,5-13H2,1-4H3
InChIKeyOQOJYQGGSIAUDJ-UHFFFAOYSA-N
MW255.45 g/mol
LogP2.04
Rot. Bonds8

About N-ethyl-4-[4-(2-methylpropyl)piperazin-1-yl]pentan-1-amine

N-ethyl-4-[4-(2-methylpropyl)piperazin-1-yl]pentan-1-amine (PubChem CID 62776961) has the molecular formula C15H33N3 and a molecular weight of 255.45 g/mol. Its IUPAC name is N-ethyl-4-[4-(2-methylpropyl)piperazin-1-yl]pentan-1-amine.

Molecular Properties

Compound NameN-ethyl-4-[4-(2-methylpropyl)piperazin-1-yl]pentan-1-amine
PubChem CID62776961
Molecular FormulaC15H33N3
Molecular Weight255.45 g/mol
Exact Mass255.27
IUPAC NameN-ethyl-4-[4-(2-methylpropyl)piperazin-1-yl]pentan-1-amine
SMILESCCNCCCC(C)N1CCN(CC(C)C)CC1
InChIInChI=1S/C15H33N3/c1-5-16-8-6-7-15(4)18-11-9-17(10-12-18)13-14(2)3/h14-16H,5-13H2,1-4H3
InChIKeyOQOJYQGGSIAUDJ-UHFFFAOYSA-N
XLogP2.04
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
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

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-[4-(2-methylpropyl)piperazin-1-yl]propan-1-amine
CID 62772925
N-ethyl-4-thiomorpholin-4-ylpentan-1-amine
CID 62417328
3-[4-(2-methylpropyl)piperazin-1-yl]butan-1-amine
CID 62777232
2-methyl-N-[2-[4-(2-methylpropyl)piperazin-1-yl]propyl]propan-1-amine
CID 62773305
1-(ethylamino)-3-[4-(2-methylpropyl)piperazin-1-yl]propan-2-ol
CID 62775672
N-ethyl-4-(3,3,4-trimethylpiperazin-1-yl)pentan-1-amine
CID 63620156
N-ethyl-3-(4-methylpiperazin-1-yl)butan-1-amine
CID 62437944
N-ethyl-4-[4-(4-fluorophenyl)piperazin-1-yl]pentan-1-amine
CID 62424032
4-(azepan-1-yl)-N-(2-methylpropyl)pentan-1-amine
CID 55070119
N-[4-(ethylamino)butyl]-1-(2-methylpropyl)azetidine-3-sulfonamide
CID 170175572
N-(2-methylpropyl)-4-thiomorpholin-4-ylpentan-1-amine
CID 62417518
N-[4-(4-ethylpiperazin-1-yl)pentyl]cyclopropanamine
CID 62418577

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[4-(2-methylpropyl)piperazin-1-yl]pentan-1-amine?
The IUPAC name of N-ethyl-4-[4-(2-methylpropyl)piperazin-1-yl]pentan-1-amine (CID 62776961) is N-ethyl-4-[4-(2-methylpropyl)piperazin-1-yl]pentan-1-amine.
What is the SMILES notation for N-ethyl-4-[4-(2-methylpropyl)piperazin-1-yl]pentan-1-amine?
The canonical SMILES for N-ethyl-4-[4-(2-methylpropyl)piperazin-1-yl]pentan-1-amine is CCNCCCC(C)N1CCN(CC(C)C)CC1.
What is the InChIKey of N-ethyl-4-[4-(2-methylpropyl)piperazin-1-yl]pentan-1-amine?
The InChIKey is OQOJYQGGSIAUDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N3/c1-5-16-8-6-7-15(4)18-11-9-17(10-12-18)13-14(2)3/h14-16H,5-13H2,1-4H3.
What are the key properties of N-ethyl-4-[4-(2-methylpropyl)piperazin-1-yl]pentan-1-amine?
N-ethyl-4-[4-(2-methylpropyl)piperazin-1-yl]pentan-1-amine has a molecular weight of 255.45 g/mol, XLogP of 2.04, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[4-(2-methylpropyl)piperazin-1-yl]pentan-1-amine is sourced from PubChem (CID 62776961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).