N,2-diethyl-N-[(2-methylpiperidin-4-yl)methyl]butan-1-amine

C15H32N2 — CID 106740959

IUPACN,2-diethyl-N-[(2-methylpiperidin-4-yl)methyl]butan-1-amine
SMILESCCC(CC)CN(CC)CC1CCNC(C)C1
InChIInChI=1S/C15H32N2/c1-5-14(6-2)11-17(7-3)12-15-8-9-16-13(4)10-15/h13-16H,5-12H2,1-4H3
InChIKeyQPVOPKITXHZJRZ-UHFFFAOYSA-N
MW240.43 g/mol
LogP3.13
Rot. Bonds7

About N,2-diethyl-N-[(2-methylpiperidin-4-yl)methyl]butan-1-amine

N,2-diethyl-N-[(2-methylpiperidin-4-yl)methyl]butan-1-amine (PubChem CID 106740959) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is N,2-diethyl-N-[(2-methylpiperidin-4-yl)methyl]butan-1-amine.

Molecular Properties

Compound NameN,2-diethyl-N-[(2-methylpiperidin-4-yl)methyl]butan-1-amine
PubChem CID106740959
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC NameN,2-diethyl-N-[(2-methylpiperidin-4-yl)methyl]butan-1-amine
SMILESCCC(CC)CN(CC)CC1CCNC(C)C1
InChIInChI=1S/C15H32N2/c1-5-14(6-2)11-17(7-3)12-15-8-9-16-13(4)10-15/h13-16H,5-12H2,1-4H3
InChIKeyQPVOPKITXHZJRZ-UHFFFAOYSA-N
XLogP3.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,2-diethyl-N-[(2-methylpiperidin-4-yl)methyl]butan-1-amine?
The IUPAC name of N,2-diethyl-N-[(2-methylpiperidin-4-yl)methyl]butan-1-amine (CID 106740959) is N,2-diethyl-N-[(2-methylpiperidin-4-yl)methyl]butan-1-amine.
What is the SMILES notation for N,2-diethyl-N-[(2-methylpiperidin-4-yl)methyl]butan-1-amine?
The canonical SMILES for N,2-diethyl-N-[(2-methylpiperidin-4-yl)methyl]butan-1-amine is CCC(CC)CN(CC)CC1CCNC(C)C1.
What is the InChIKey of N,2-diethyl-N-[(2-methylpiperidin-4-yl)methyl]butan-1-amine?
The InChIKey is QPVOPKITXHZJRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2/c1-5-14(6-2)11-17(7-3)12-15-8-9-16-13(4)10-15/h13-16H,5-12H2,1-4H3.
What are the key properties of N,2-diethyl-N-[(2-methylpiperidin-4-yl)methyl]butan-1-amine?
N,2-diethyl-N-[(2-methylpiperidin-4-yl)methyl]butan-1-amine has a molecular weight of 240.43 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diethyl-N-[(2-methylpiperidin-4-yl)methyl]butan-1-amine is sourced from PubChem (CID 106740959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).