2-[4-(4-methylpentyl)piperazin-1-yl]ethanamine

C12H27N3 — CID 83155367

IUPAC2-[4-(4-methylpentyl)piperazin-1-yl]ethanamine
SMILESCC(C)CCCN1CCN(CCN)CC1
InChIInChI=1S/C12H27N3/c1-12(2)4-3-6-14-8-10-15(7-5-13)11-9-14/h12H,3-11,13H2,1-2H3
InChIKeyDCHGRTCSFRGZEB-UHFFFAOYSA-N
MW213.37 g/mol
LogP1.00
Rot. Bonds6

About 2-[4-(4-methylpentyl)piperazin-1-yl]ethanamine

2-[4-(4-methylpentyl)piperazin-1-yl]ethanamine (PubChem CID 83155367) has the molecular formula C12H27N3 and a molecular weight of 213.37 g/mol. Its IUPAC name is 2-[4-(4-methylpentyl)piperazin-1-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(4-methylpentyl)piperazin-1-yl]ethanamine
PubChem CID83155367
Molecular FormulaC12H27N3
Molecular Weight213.37 g/mol
Exact Mass213.22
IUPAC Name2-[4-(4-methylpentyl)piperazin-1-yl]ethanamine
SMILESCC(C)CCCN1CCN(CCN)CC1
InChIInChI=1S/C12H27N3/c1-12(2)4-3-6-14-8-10-15(7-5-13)11-9-14/h12H,3-11,13H2,1-2H3
InChIKeyDCHGRTCSFRGZEB-UHFFFAOYSA-N
XLogP1.00
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.37
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methylpentyl)piperazin-1-yl]ethanamine?
The IUPAC name of 2-[4-(4-methylpentyl)piperazin-1-yl]ethanamine (CID 83155367) is 2-[4-(4-methylpentyl)piperazin-1-yl]ethanamine.
What is the SMILES notation for 2-[4-(4-methylpentyl)piperazin-1-yl]ethanamine?
The canonical SMILES for 2-[4-(4-methylpentyl)piperazin-1-yl]ethanamine is CC(C)CCCN1CCN(CCN)CC1.
What is the InChIKey of 2-[4-(4-methylpentyl)piperazin-1-yl]ethanamine?
The InChIKey is DCHGRTCSFRGZEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3/c1-12(2)4-3-6-14-8-10-15(7-5-13)11-9-14/h12H,3-11,13H2,1-2H3.
What are the key properties of 2-[4-(4-methylpentyl)piperazin-1-yl]ethanamine?
2-[4-(4-methylpentyl)piperazin-1-yl]ethanamine has a molecular weight of 213.37 g/mol, XLogP of 1.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methylpentyl)piperazin-1-yl]ethanamine is sourced from PubChem (CID 83155367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).