1-[2-(cyclooctylamino)ethyl]-N,N-dimethylpiperidin-4-amine

C17H35N3 — CID 84589356

IUPAC1-[2-(cyclooctylamino)ethyl]-N,N-dimethylpiperidin-4-amine
SMILESCN(C)C1CCN(CCNC2CCCCCCC2)CC1
InChIInChI=1S/C17H35N3/c1-19(2)17-10-13-20(14-11-17)15-12-18-16-8-6-4-3-5-7-9-16/h16-18H,3-15H2,1-2H3
InChIKeyJITGEXJUEGPFTC-UHFFFAOYSA-N
MW281.49 g/mol
LogP2.71
Rot. Bonds5

About 1-[2-(cyclooctylamino)ethyl]-N,N-dimethylpiperidin-4-amine

1-[2-(cyclooctylamino)ethyl]-N,N-dimethylpiperidin-4-amine (PubChem CID 84589356) has the molecular formula C17H35N3 and a molecular weight of 281.49 g/mol. Its IUPAC name is 1-[2-(cyclooctylamino)ethyl]-N,N-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-[2-(cyclooctylamino)ethyl]-N,N-dimethylpiperidin-4-amine
PubChem CID84589356
Molecular FormulaC17H35N3
Molecular Weight281.49 g/mol
Exact Mass281.28
IUPAC Name1-[2-(cyclooctylamino)ethyl]-N,N-dimethylpiperidin-4-amine
SMILESCN(C)C1CCN(CCNC2CCCCCCC2)CC1
InChIInChI=1S/C17H35N3/c1-19(2)17-10-13-20(14-11-17)15-12-18-16-8-6-4-3-5-7-9-16/h16-18H,3-15H2,1-2H3
InChIKeyJITGEXJUEGPFTC-UHFFFAOYSA-N
XLogP2.71
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.49
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclooctylamino)ethyl]-N,N-dimethylpiperidin-4-amine?
The IUPAC name of 1-[2-(cyclooctylamino)ethyl]-N,N-dimethylpiperidin-4-amine (CID 84589356) is 1-[2-(cyclooctylamino)ethyl]-N,N-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-[2-(cyclooctylamino)ethyl]-N,N-dimethylpiperidin-4-amine?
The canonical SMILES for 1-[2-(cyclooctylamino)ethyl]-N,N-dimethylpiperidin-4-amine is CN(C)C1CCN(CCNC2CCCCCCC2)CC1.
What is the InChIKey of 1-[2-(cyclooctylamino)ethyl]-N,N-dimethylpiperidin-4-amine?
The InChIKey is JITGEXJUEGPFTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3/c1-19(2)17-10-13-20(14-11-17)15-12-18-16-8-6-4-3-5-7-9-16/h16-18H,3-15H2,1-2H3.
What are the key properties of 1-[2-(cyclooctylamino)ethyl]-N,N-dimethylpiperidin-4-amine?
1-[2-(cyclooctylamino)ethyl]-N,N-dimethylpiperidin-4-amine has a molecular weight of 281.49 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclooctylamino)ethyl]-N,N-dimethylpiperidin-4-amine is sourced from PubChem (CID 84589356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).