2-(4-hexylpiperazin-1-yl)ethanamine

C12H27N3 — CID 28913883

IUPAC2-(4-hexylpiperazin-1-yl)ethanamine
SMILESCCCCCCN1CCN(CCN)CC1
InChIInChI=1S/C12H27N3/c1-2-3-4-5-7-14-9-11-15(8-6-13)12-10-14/h2-13H2,1H3
InChIKeyHPORLMDJWAGYPN-UHFFFAOYSA-N
MW213.37 g/mol
LogP1.14
Rot. Bonds7

About 2-(4-hexylpiperazin-1-yl)ethanamine

2-(4-hexylpiperazin-1-yl)ethanamine (PubChem CID 28913883) has the molecular formula C12H27N3 and a molecular weight of 213.37 g/mol. Its IUPAC name is 2-(4-hexylpiperazin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(4-hexylpiperazin-1-yl)ethanamine
PubChem CID28913883
Molecular FormulaC12H27N3
Molecular Weight213.37 g/mol
Exact Mass213.22
IUPAC Name2-(4-hexylpiperazin-1-yl)ethanamine
SMILESCCCCCCN1CCN(CCN)CC1
InChIInChI=1S/C12H27N3/c1-2-3-4-5-7-14-9-11-15(8-6-13)12-10-14/h2-13H2,1H3
InChIKeyHPORLMDJWAGYPN-UHFFFAOYSA-N
XLogP1.14
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.37
LogP ≤ 51.14
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

5-(4-nonylpiperazin-1-yl)pentan-1-amine
CID 43253095
4-(4-pentylpiperazin-1-yl)butan-1-amine
CID 43252747
1-octylaziridine
CID 544653
1,4,7-tridodecyl-1,4,7-triazonane
CID 66887116
4-(4-nonyl-1,4-diazepan-1-yl)butan-1-amine
CID 43252867
4-(4-pentyl-1,4-diazepan-1-yl)butan-1-amine
CID 43252830
1-ethyl-4-heptylpiperazine
CID 21399221
3-(4-butylpiperazin-1-yl)propan-1-amine
CID 15485218
1,4,7,10-tetraheptyl-1,4,7,10-tetrazacyclotridecane
CID 24824731
1-ethyl-4-undecylpiperazine
CID 21399231
1-[4-(2-aminoethyl)piperazin-1-yl]nonan-1-one
CID 65449474
3-(4-butylpiperazin-1-yl)propan-1-amine;2-piperidin-1-ylethanamine
CID 54346407

Frequently Asked Questions

What is the IUPAC name of 2-(4-hexylpiperazin-1-yl)ethanamine?
The IUPAC name of 2-(4-hexylpiperazin-1-yl)ethanamine (CID 28913883) is 2-(4-hexylpiperazin-1-yl)ethanamine.
What is the SMILES notation for 2-(4-hexylpiperazin-1-yl)ethanamine?
The canonical SMILES for 2-(4-hexylpiperazin-1-yl)ethanamine is CCCCCCN1CCN(CCN)CC1.
What is the InChIKey of 2-(4-hexylpiperazin-1-yl)ethanamine?
The InChIKey is HPORLMDJWAGYPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3/c1-2-3-4-5-7-14-9-11-15(8-6-13)12-10-14/h2-13H2,1H3.
What are the key properties of 2-(4-hexylpiperazin-1-yl)ethanamine?
2-(4-hexylpiperazin-1-yl)ethanamine has a molecular weight of 213.37 g/mol, XLogP of 1.14, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hexylpiperazin-1-yl)ethanamine is sourced from PubChem (CID 28913883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).