6-(4-ethyl-4-methylpiperidin-1-yl)-3,3-dimethylhexan-1-amine

C16H34N2 — CID 65295886

IUPAC6-(4-ethyl-4-methylpiperidin-1-yl)-3,3-dimethylhexan-1-amine
SMILESCCC1(C)CCN(CCCC(C)(C)CCN)CC1
InChIInChI=1S/C16H34N2/c1-5-16(4)9-13-18(14-10-16)12-6-7-15(2,3)8-11-17/h5-14,17H2,1-4H3
InChIKeyIEJDHMVMOSAIED-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.65
Rot. Bonds7

About 6-(4-ethyl-4-methylpiperidin-1-yl)-3,3-dimethylhexan-1-amine

6-(4-ethyl-4-methylpiperidin-1-yl)-3,3-dimethylhexan-1-amine (PubChem CID 65295886) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is 6-(4-ethyl-4-methylpiperidin-1-yl)-3,3-dimethylhexan-1-amine.

Molecular Properties

Compound Name6-(4-ethyl-4-methylpiperidin-1-yl)-3,3-dimethylhexan-1-amine
PubChem CID65295886
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC Name6-(4-ethyl-4-methylpiperidin-1-yl)-3,3-dimethylhexan-1-amine
SMILESCCC1(C)CCN(CCCC(C)(C)CCN)CC1
InChIInChI=1S/C16H34N2/c1-5-16(4)9-13-18(14-10-16)12-6-7-15(2,3)8-11-17/h5-14,17H2,1-4H3
InChIKeyIEJDHMVMOSAIED-UHFFFAOYSA-N
XLogP3.65
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(4-ethyl-4-methylpiperidin-1-yl)-3,3-dimethylhexan-1-amine?
The IUPAC name of 6-(4-ethyl-4-methylpiperidin-1-yl)-3,3-dimethylhexan-1-amine (CID 65295886) is 6-(4-ethyl-4-methylpiperidin-1-yl)-3,3-dimethylhexan-1-amine.
What is the SMILES notation for 6-(4-ethyl-4-methylpiperidin-1-yl)-3,3-dimethylhexan-1-amine?
The canonical SMILES for 6-(4-ethyl-4-methylpiperidin-1-yl)-3,3-dimethylhexan-1-amine is CCC1(C)CCN(CCCC(C)(C)CCN)CC1.
What is the InChIKey of 6-(4-ethyl-4-methylpiperidin-1-yl)-3,3-dimethylhexan-1-amine?
The InChIKey is IEJDHMVMOSAIED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-5-16(4)9-13-18(14-10-16)12-6-7-15(2,3)8-11-17/h5-14,17H2,1-4H3.
What are the key properties of 6-(4-ethyl-4-methylpiperidin-1-yl)-3,3-dimethylhexan-1-amine?
6-(4-ethyl-4-methylpiperidin-1-yl)-3,3-dimethylhexan-1-amine has a molecular weight of 254.46 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethyl-4-methylpiperidin-1-yl)-3,3-dimethylhexan-1-amine is sourced from PubChem (CID 65295886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).