2-(4-butan-2-ylpiperazin-1-yl)cyclooctan-1-amine

C16H33N3 — CID 55117691

IUPAC2-(4-butan-2-ylpiperazin-1-yl)cyclooctan-1-amine
SMILESCCC(C)N1CCN(C2CCCCCCC2N)CC1
InChIInChI=1S/C16H33N3/c1-3-14(2)18-10-12-19(13-11-18)16-9-7-5-4-6-8-15(16)17/h14-16H,3-13,17H2,1-2H3
InChIKeyGIHIYDUCDUPXFH-UHFFFAOYSA-N
MW267.46 g/mol
LogP2.45
Rot. Bonds3

About 2-(4-butan-2-ylpiperazin-1-yl)cyclooctan-1-amine

2-(4-butan-2-ylpiperazin-1-yl)cyclooctan-1-amine (PubChem CID 55117691) has the molecular formula C16H33N3 and a molecular weight of 267.46 g/mol. Its IUPAC name is 2-(4-butan-2-ylpiperazin-1-yl)cyclooctan-1-amine.

Molecular Properties

Compound Name2-(4-butan-2-ylpiperazin-1-yl)cyclooctan-1-amine
PubChem CID55117691
Molecular FormulaC16H33N3
Molecular Weight267.46 g/mol
Exact Mass267.27
IUPAC Name2-(4-butan-2-ylpiperazin-1-yl)cyclooctan-1-amine
SMILESCCC(C)N1CCN(C2CCCCCCC2N)CC1
InChIInChI=1S/C16H33N3/c1-3-14(2)18-10-12-19(13-11-18)16-9-7-5-4-6-8-15(16)17/h14-16H,3-13,17H2,1-2H3
InChIKeyGIHIYDUCDUPXFH-UHFFFAOYSA-N
XLogP2.45
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-butan-2-ylpiperazin-1-yl)cyclooctan-1-amine?
The IUPAC name of 2-(4-butan-2-ylpiperazin-1-yl)cyclooctan-1-amine (CID 55117691) is 2-(4-butan-2-ylpiperazin-1-yl)cyclooctan-1-amine.
What is the SMILES notation for 2-(4-butan-2-ylpiperazin-1-yl)cyclooctan-1-amine?
The canonical SMILES for 2-(4-butan-2-ylpiperazin-1-yl)cyclooctan-1-amine is CCC(C)N1CCN(C2CCCCCCC2N)CC1.
What is the InChIKey of 2-(4-butan-2-ylpiperazin-1-yl)cyclooctan-1-amine?
The InChIKey is GIHIYDUCDUPXFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3/c1-3-14(2)18-10-12-19(13-11-18)16-9-7-5-4-6-8-15(16)17/h14-16H,3-13,17H2,1-2H3.
What are the key properties of 2-(4-butan-2-ylpiperazin-1-yl)cyclooctan-1-amine?
2-(4-butan-2-ylpiperazin-1-yl)cyclooctan-1-amine has a molecular weight of 267.46 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butan-2-ylpiperazin-1-yl)cyclooctan-1-amine is sourced from PubChem (CID 55117691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).