4-methyl-2-(4-methylpiperidin-1-yl)-2-(2-methylpropyl)pentan-1-amine

C16H34N2 — CID 113220174

IUPAC4-methyl-2-(4-methylpiperidin-1-yl)-2-(2-methylpropyl)pentan-1-amine
SMILESCC(C)CC(CN)(CC(C)C)N1CCC(C)CC1
InChIInChI=1S/C16H34N2/c1-13(2)10-16(12-17,11-14(3)4)18-8-6-15(5)7-9-18/h13-15H,6-12,17H2,1-5H3
InChIKeyPAHSTUPJCCXOGO-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.51
Rot. Bonds6

About 4-methyl-2-(4-methylpiperidin-1-yl)-2-(2-methylpropyl)pentan-1-amine

4-methyl-2-(4-methylpiperidin-1-yl)-2-(2-methylpropyl)pentan-1-amine (PubChem CID 113220174) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is 4-methyl-2-(4-methylpiperidin-1-yl)-2-(2-methylpropyl)pentan-1-amine.

Molecular Properties

Compound Name4-methyl-2-(4-methylpiperidin-1-yl)-2-(2-methylpropyl)pentan-1-amine
PubChem CID113220174
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC Name4-methyl-2-(4-methylpiperidin-1-yl)-2-(2-methylpropyl)pentan-1-amine
SMILESCC(C)CC(CN)(CC(C)C)N1CCC(C)CC1
InChIInChI=1S/C16H34N2/c1-13(2)10-16(12-17,11-14(3)4)18-8-6-15(5)7-9-18/h13-15H,6-12,17H2,1-5H3
InChIKeyPAHSTUPJCCXOGO-UHFFFAOYSA-N
XLogP3.51
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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 4-methyl-2-(4-methylpiperidin-1-yl)-2-(2-methylpropyl)pentan-1-amine?
The IUPAC name of 4-methyl-2-(4-methylpiperidin-1-yl)-2-(2-methylpropyl)pentan-1-amine (CID 113220174) is 4-methyl-2-(4-methylpiperidin-1-yl)-2-(2-methylpropyl)pentan-1-amine.
What is the SMILES notation for 4-methyl-2-(4-methylpiperidin-1-yl)-2-(2-methylpropyl)pentan-1-amine?
The canonical SMILES for 4-methyl-2-(4-methylpiperidin-1-yl)-2-(2-methylpropyl)pentan-1-amine is CC(C)CC(CN)(CC(C)C)N1CCC(C)CC1.
What is the InChIKey of 4-methyl-2-(4-methylpiperidin-1-yl)-2-(2-methylpropyl)pentan-1-amine?
The InChIKey is PAHSTUPJCCXOGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-13(2)10-16(12-17,11-14(3)4)18-8-6-15(5)7-9-18/h13-15H,6-12,17H2,1-5H3.
What are the key properties of 4-methyl-2-(4-methylpiperidin-1-yl)-2-(2-methylpropyl)pentan-1-amine?
4-methyl-2-(4-methylpiperidin-1-yl)-2-(2-methylpropyl)pentan-1-amine has a molecular weight of 254.46 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(4-methylpiperidin-1-yl)-2-(2-methylpropyl)pentan-1-amine is sourced from PubChem (CID 113220174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).