6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-3,3-dimethylhexan-1-amine

C16H36N4 — CID 65296194

IUPAC6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-3,3-dimethylhexan-1-amine
SMILESCN(C)CCN1CCN(CCCC(C)(C)CCN)CC1
InChIInChI=1S/C16H36N4/c1-16(2,7-8-17)6-5-9-19-12-14-20(15-13-19)11-10-18(3)4/h5-15,17H2,1-4H3
InChIKeyMHEHIBDBFXHYQB-UHFFFAOYSA-N
MW284.49 g/mol
LogP1.32
Rot. Bonds9

About 6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-3,3-dimethylhexan-1-amine

6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-3,3-dimethylhexan-1-amine (PubChem CID 65296194) has the molecular formula C16H36N4 and a molecular weight of 284.49 g/mol. Its IUPAC name is 6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-3,3-dimethylhexan-1-amine.

Molecular Properties

Compound Name6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-3,3-dimethylhexan-1-amine
PubChem CID65296194
Molecular FormulaC16H36N4
Molecular Weight284.49 g/mol
Exact Mass284.29
IUPAC Name6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-3,3-dimethylhexan-1-amine
SMILESCN(C)CCN1CCN(CCCC(C)(C)CCN)CC1
InChIInChI=1S/C16H36N4/c1-16(2,7-8-17)6-5-9-19-12-14-20(15-13-19)11-10-18(3)4/h5-15,17H2,1-4H3
InChIKeyMHEHIBDBFXHYQB-UHFFFAOYSA-N
XLogP1.32
TPSA35.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.49
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-3,3-dimethylhexan-1-amine?
The IUPAC name of 6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-3,3-dimethylhexan-1-amine (CID 65296194) is 6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-3,3-dimethylhexan-1-amine.
What is the SMILES notation for 6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-3,3-dimethylhexan-1-amine?
The canonical SMILES for 6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-3,3-dimethylhexan-1-amine is CN(C)CCN1CCN(CCCC(C)(C)CCN)CC1.
What is the InChIKey of 6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-3,3-dimethylhexan-1-amine?
The InChIKey is MHEHIBDBFXHYQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36N4/c1-16(2,7-8-17)6-5-9-19-12-14-20(15-13-19)11-10-18(3)4/h5-15,17H2,1-4H3.
What are the key properties of 6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-3,3-dimethylhexan-1-amine?
6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-3,3-dimethylhexan-1-amine has a molecular weight of 284.49 g/mol, XLogP of 1.32, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-3,3-dimethylhexan-1-amine is sourced from PubChem (CID 65296194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).