[1-(4-butan-2-ylpiperazin-1-yl)cyclooctyl]methanamine

C17H35N3 — CID 62774212

IUPAC[1-(4-butan-2-ylpiperazin-1-yl)cyclooctyl]methanamine
SMILESCCC(C)N1CCN(C2(CN)CCCCCCC2)CC1
InChIInChI=1S/C17H35N3/c1-3-16(2)19-11-13-20(14-12-19)17(15-18)9-7-5-4-6-8-10-17/h16H,3-15,18H2,1-2H3
InChIKeyRJYODOHJLFKDRJ-UHFFFAOYSA-N
MW281.49 g/mol
LogP2.84
Rot. Bonds4

About [1-(4-butan-2-ylpiperazin-1-yl)cyclooctyl]methanamine

[1-(4-butan-2-ylpiperazin-1-yl)cyclooctyl]methanamine (PubChem CID 62774212) has the molecular formula C17H35N3 and a molecular weight of 281.49 g/mol. Its IUPAC name is [1-(4-butan-2-ylpiperazin-1-yl)cyclooctyl]methanamine.

Molecular Properties

Compound Name[1-(4-butan-2-ylpiperazin-1-yl)cyclooctyl]methanamine
PubChem CID62774212
Molecular FormulaC17H35N3
Molecular Weight281.49 g/mol
Exact Mass281.28
IUPAC Name[1-(4-butan-2-ylpiperazin-1-yl)cyclooctyl]methanamine
SMILESCCC(C)N1CCN(C2(CN)CCCCCCC2)CC1
InChIInChI=1S/C17H35N3/c1-3-16(2)19-11-13-20(14-12-19)17(15-18)9-7-5-4-6-8-10-17/h16H,3-15,18H2,1-2H3
InChIKeyRJYODOHJLFKDRJ-UHFFFAOYSA-N
XLogP2.84
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.49
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(4-butan-2-ylpiperazin-1-yl)cyclooctyl]methanamine?
The IUPAC name of [1-(4-butan-2-ylpiperazin-1-yl)cyclooctyl]methanamine (CID 62774212) is [1-(4-butan-2-ylpiperazin-1-yl)cyclooctyl]methanamine.
What is the SMILES notation for [1-(4-butan-2-ylpiperazin-1-yl)cyclooctyl]methanamine?
The canonical SMILES for [1-(4-butan-2-ylpiperazin-1-yl)cyclooctyl]methanamine is CCC(C)N1CCN(C2(CN)CCCCCCC2)CC1.
What is the InChIKey of [1-(4-butan-2-ylpiperazin-1-yl)cyclooctyl]methanamine?
The InChIKey is RJYODOHJLFKDRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3/c1-3-16(2)19-11-13-20(14-12-19)17(15-18)9-7-5-4-6-8-10-17/h16H,3-15,18H2,1-2H3.
What are the key properties of [1-(4-butan-2-ylpiperazin-1-yl)cyclooctyl]methanamine?
[1-(4-butan-2-ylpiperazin-1-yl)cyclooctyl]methanamine has a molecular weight of 281.49 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-butan-2-ylpiperazin-1-yl)cyclooctyl]methanamine is sourced from PubChem (CID 62774212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).