N-ethyl-3-methyl-3-piperidin-1-yl-1-propan-2-yloxybutan-2-amine

C15H32N2O — CID 79574572

IUPACN-ethyl-3-methyl-3-piperidin-1-yl-1-propan-2-yloxybutan-2-amine
SMILESCCNC(COC(C)C)C(C)(C)N1CCCCC1
InChIInChI=1S/C15H32N2O/c1-6-16-14(12-18-13(2)3)15(4,5)17-10-8-7-9-11-17/h13-14,16H,6-12H2,1-5H3
InChIKeyYJXMMZUTIMBJAF-UHFFFAOYSA-N
MW256.43 g/mol
LogP2.65
Rot. Bonds7

About N-ethyl-3-methyl-3-piperidin-1-yl-1-propan-2-yloxybutan-2-amine

N-ethyl-3-methyl-3-piperidin-1-yl-1-propan-2-yloxybutan-2-amine (PubChem CID 79574572) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is N-ethyl-3-methyl-3-piperidin-1-yl-1-propan-2-yloxybutan-2-amine.

Molecular Properties

Compound NameN-ethyl-3-methyl-3-piperidin-1-yl-1-propan-2-yloxybutan-2-amine
PubChem CID79574572
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC NameN-ethyl-3-methyl-3-piperidin-1-yl-1-propan-2-yloxybutan-2-amine
SMILESCCNC(COC(C)C)C(C)(C)N1CCCCC1
InChIInChI=1S/C15H32N2O/c1-6-16-14(12-18-13(2)3)15(4,5)17-10-8-7-9-11-17/h13-14,16H,6-12H2,1-5H3
InChIKeyYJXMMZUTIMBJAF-UHFFFAOYSA-N
XLogP2.65
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(azepan-1-yl)-1-ethoxy-N-ethyl-3-methylbutan-2-amine
CID 79574923
N-ethyl-1-methoxy-3-methyl-3-pyrrolidin-1-ylbutan-2-amine
CID 79575382
N-ethyl-3-methyl-3-piperidin-1-yl-1-propoxybutan-2-amine
CID 79574688
3-methyl-1-propan-2-yloxy-3-pyrrolidin-1-ylbutan-2-ol
CID 79568014
N,5-diethyl-2-methyl-2-piperidin-1-ylheptan-3-amine
CID 82922639
N-ethyl-2-methyl-2-piperidin-1-yloctan-3-amine
CID 79045571
1-cyclopentyl-N-ethyl-3-methyl-3-pyrrolidin-1-ylbutan-2-amine
CID 79056065
N-ethyl-2,5-dimethyl-2-pyrrolidin-1-yloctan-3-amine
CID 79055735
2-(azepan-1-yl)-N-ethyl-2,5-dimethylhex-5-en-3-amine
CID 79185094
N-ethyl-6-methoxy-2-methyl-2-pyrrolidin-1-ylhexan-3-amine
CID 114856186
2-(azepan-1-yl)-N-ethyl-2-methyloct-6-yn-3-amine
CID 104806402
N-ethyl-3-methyl-1-(oxan-4-yl)-3-pyrrolidin-1-ylbutan-2-amine
CID 79056741

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-3-piperidin-1-yl-1-propan-2-yloxybutan-2-amine?
The IUPAC name of N-ethyl-3-methyl-3-piperidin-1-yl-1-propan-2-yloxybutan-2-amine (CID 79574572) is N-ethyl-3-methyl-3-piperidin-1-yl-1-propan-2-yloxybutan-2-amine.
What is the SMILES notation for N-ethyl-3-methyl-3-piperidin-1-yl-1-propan-2-yloxybutan-2-amine?
The canonical SMILES for N-ethyl-3-methyl-3-piperidin-1-yl-1-propan-2-yloxybutan-2-amine is CCNC(COC(C)C)C(C)(C)N1CCCCC1.
What is the InChIKey of N-ethyl-3-methyl-3-piperidin-1-yl-1-propan-2-yloxybutan-2-amine?
The InChIKey is YJXMMZUTIMBJAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-6-16-14(12-18-13(2)3)15(4,5)17-10-8-7-9-11-17/h13-14,16H,6-12H2,1-5H3.
What are the key properties of N-ethyl-3-methyl-3-piperidin-1-yl-1-propan-2-yloxybutan-2-amine?
N-ethyl-3-methyl-3-piperidin-1-yl-1-propan-2-yloxybutan-2-amine has a molecular weight of 256.43 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-3-piperidin-1-yl-1-propan-2-yloxybutan-2-amine is sourced from PubChem (CID 79574572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).