2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-4,4-dimethylpentan-1-amine

C16H34N2 — CID 107473432

IUPAC2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-4,4-dimethylpentan-1-amine
SMILESCCC1(C)CCN(CC(CN)CC(C)(C)C)CC1
InChIInChI=1S/C16H34N2/c1-6-16(5)7-9-18(10-8-16)13-14(12-17)11-15(2,3)4/h14H,6-13,17H2,1-5H3
InChIKeyXLOVODXZMGIMPB-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.51
Rot. Bonds5

About 2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-4,4-dimethylpentan-1-amine

2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-4,4-dimethylpentan-1-amine (PubChem CID 107473432) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is 2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-4,4-dimethylpentan-1-amine.

Molecular Properties

Compound Name2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-4,4-dimethylpentan-1-amine
PubChem CID107473432
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC Name2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-4,4-dimethylpentan-1-amine
SMILESCCC1(C)CCN(CC(CN)CC(C)(C)C)CC1
InChIInChI=1S/C16H34N2/c1-6-16(5)7-9-18(10-8-16)13-14(12-17)11-15(2,3)4/h14H,6-13,17H2,1-5H3
InChIKeyXLOVODXZMGIMPB-UHFFFAOYSA-N
XLogP3.51
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-4,4-dimethylpentan-1-amine?
The IUPAC name of 2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-4,4-dimethylpentan-1-amine (CID 107473432) is 2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-4,4-dimethylpentan-1-amine.
What is the SMILES notation for 2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-4,4-dimethylpentan-1-amine?
The canonical SMILES for 2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-4,4-dimethylpentan-1-amine is CCC1(C)CCN(CC(CN)CC(C)(C)C)CC1.
What is the InChIKey of 2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-4,4-dimethylpentan-1-amine?
The InChIKey is XLOVODXZMGIMPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-6-16(5)7-9-18(10-8-16)13-14(12-17)11-15(2,3)4/h14H,6-13,17H2,1-5H3.
What are the key properties of 2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-4,4-dimethylpentan-1-amine?
2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-4,4-dimethylpentan-1-amine has a molecular weight of 254.46 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-4,4-dimethylpentan-1-amine is sourced from PubChem (CID 107473432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).