N,2-diethyl-2-[(3-methoxy-3-methylpiperidin-1-yl)methyl]butan-1-amine

C16H34N2O — CID 107395092

IUPACN,2-diethyl-2-[(3-methoxy-3-methylpiperidin-1-yl)methyl]butan-1-amine
SMILESCCNCC(CC)(CC)CN1CCCC(C)(OC)C1
InChIInChI=1S/C16H34N2O/c1-6-16(7-2,12-17-8-3)14-18-11-9-10-15(4,13-18)19-5/h17H,6-14H2,1-5H3
InChIKeyKLIDVFUAGGWQQL-UHFFFAOYSA-N
MW270.46 g/mol
LogP2.90
Rot. Bonds8

About N,2-diethyl-2-[(3-methoxy-3-methylpiperidin-1-yl)methyl]butan-1-amine

N,2-diethyl-2-[(3-methoxy-3-methylpiperidin-1-yl)methyl]butan-1-amine (PubChem CID 107395092) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is N,2-diethyl-2-[(3-methoxy-3-methylpiperidin-1-yl)methyl]butan-1-amine.

Molecular Properties

Compound NameN,2-diethyl-2-[(3-methoxy-3-methylpiperidin-1-yl)methyl]butan-1-amine
PubChem CID107395092
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC NameN,2-diethyl-2-[(3-methoxy-3-methylpiperidin-1-yl)methyl]butan-1-amine
SMILESCCNCC(CC)(CC)CN1CCCC(C)(OC)C1
InChIInChI=1S/C16H34N2O/c1-6-16(7-2,12-17-8-3)14-18-11-9-10-15(4,13-18)19-5/h17H,6-14H2,1-5H3
InChIKeyKLIDVFUAGGWQQL-UHFFFAOYSA-N
XLogP2.90
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,2-diethyl-2-[(3-methoxy-3-methylpiperidin-1-yl)methyl]butan-1-amine?
The IUPAC name of N,2-diethyl-2-[(3-methoxy-3-methylpiperidin-1-yl)methyl]butan-1-amine (CID 107395092) is N,2-diethyl-2-[(3-methoxy-3-methylpiperidin-1-yl)methyl]butan-1-amine.
What is the SMILES notation for N,2-diethyl-2-[(3-methoxy-3-methylpiperidin-1-yl)methyl]butan-1-amine?
The canonical SMILES for N,2-diethyl-2-[(3-methoxy-3-methylpiperidin-1-yl)methyl]butan-1-amine is CCNCC(CC)(CC)CN1CCCC(C)(OC)C1.
What is the InChIKey of N,2-diethyl-2-[(3-methoxy-3-methylpiperidin-1-yl)methyl]butan-1-amine?
The InChIKey is KLIDVFUAGGWQQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-6-16(7-2,12-17-8-3)14-18-11-9-10-15(4,13-18)19-5/h17H,6-14H2,1-5H3.
What are the key properties of N,2-diethyl-2-[(3-methoxy-3-methylpiperidin-1-yl)methyl]butan-1-amine?
N,2-diethyl-2-[(3-methoxy-3-methylpiperidin-1-yl)methyl]butan-1-amine has a molecular weight of 270.46 g/mol, XLogP of 2.90, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diethyl-2-[(3-methoxy-3-methylpiperidin-1-yl)methyl]butan-1-amine is sourced from PubChem (CID 107395092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).