2-[(3,5-dimethylpiperidin-1-yl)methyl]-2-ethyl-N-methylbutan-1-amine

C15H32N2 — CID 62263702

IUPAC2-[(3,5-dimethylpiperidin-1-yl)methyl]-2-ethyl-N-methylbutan-1-amine
SMILESCCC(CC)(CNC)CN1CC(C)CC(C)C1
InChIInChI=1S/C15H32N2/c1-6-15(7-2,11-16-5)12-17-9-13(3)8-14(4)10-17/h13-14,16H,6-12H2,1-5H3
InChIKeyYJOBRMPAFSGART-UHFFFAOYSA-N
MW240.43 g/mol
LogP2.99
Rot. Bonds6

About 2-[(3,5-dimethylpiperidin-1-yl)methyl]-2-ethyl-N-methylbutan-1-amine

2-[(3,5-dimethylpiperidin-1-yl)methyl]-2-ethyl-N-methylbutan-1-amine (PubChem CID 62263702) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is 2-[(3,5-dimethylpiperidin-1-yl)methyl]-2-ethyl-N-methylbutan-1-amine.

Molecular Properties

Compound Name2-[(3,5-dimethylpiperidin-1-yl)methyl]-2-ethyl-N-methylbutan-1-amine
PubChem CID62263702
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC Name2-[(3,5-dimethylpiperidin-1-yl)methyl]-2-ethyl-N-methylbutan-1-amine
SMILESCCC(CC)(CNC)CN1CC(C)CC(C)C1
InChIInChI=1S/C15H32N2/c1-6-15(7-2,11-16-5)12-17-9-13(3)8-14(4)10-17/h13-14,16H,6-12H2,1-5H3
InChIKeyYJOBRMPAFSGART-UHFFFAOYSA-N
XLogP2.99
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethylpiperidin-1-yl)methyl]-2-ethyl-N-methylbutan-1-amine?
The IUPAC name of 2-[(3,5-dimethylpiperidin-1-yl)methyl]-2-ethyl-N-methylbutan-1-amine (CID 62263702) is 2-[(3,5-dimethylpiperidin-1-yl)methyl]-2-ethyl-N-methylbutan-1-amine.
What is the SMILES notation for 2-[(3,5-dimethylpiperidin-1-yl)methyl]-2-ethyl-N-methylbutan-1-amine?
The canonical SMILES for 2-[(3,5-dimethylpiperidin-1-yl)methyl]-2-ethyl-N-methylbutan-1-amine is CCC(CC)(CNC)CN1CC(C)CC(C)C1.
What is the InChIKey of 2-[(3,5-dimethylpiperidin-1-yl)methyl]-2-ethyl-N-methylbutan-1-amine?
The InChIKey is YJOBRMPAFSGART-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2/c1-6-15(7-2,11-16-5)12-17-9-13(3)8-14(4)10-17/h13-14,16H,6-12H2,1-5H3.
What are the key properties of 2-[(3,5-dimethylpiperidin-1-yl)methyl]-2-ethyl-N-methylbutan-1-amine?
2-[(3,5-dimethylpiperidin-1-yl)methyl]-2-ethyl-N-methylbutan-1-amine has a molecular weight of 240.43 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethylpiperidin-1-yl)methyl]-2-ethyl-N-methylbutan-1-amine is sourced from PubChem (CID 62263702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).