N-ethyl-3-[(3-methoxy-3-methylpiperidin-1-yl)methyl]oxan-4-amine

C15H30N2O2 — CID 107395161

IUPACN-ethyl-3-[(3-methoxy-3-methylpiperidin-1-yl)methyl]oxan-4-amine
SMILESCCNC1CCOCC1CN1CCCC(C)(OC)C1
InChIInChI=1S/C15H30N2O2/c1-4-16-14-6-9-19-11-13(14)10-17-8-5-7-15(2,12-17)18-3/h13-14,16H,4-12H2,1-3H3
InChIKeyDEMALPDCSLCNNG-UHFFFAOYSA-N
MW270.42 g/mol
LogP1.50
Rot. Bonds5

About N-ethyl-3-[(3-methoxy-3-methylpiperidin-1-yl)methyl]oxan-4-amine

N-ethyl-3-[(3-methoxy-3-methylpiperidin-1-yl)methyl]oxan-4-amine (PubChem CID 107395161) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is N-ethyl-3-[(3-methoxy-3-methylpiperidin-1-yl)methyl]oxan-4-amine.

Molecular Properties

Compound NameN-ethyl-3-[(3-methoxy-3-methylpiperidin-1-yl)methyl]oxan-4-amine
PubChem CID107395161
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC NameN-ethyl-3-[(3-methoxy-3-methylpiperidin-1-yl)methyl]oxan-4-amine
SMILESCCNC1CCOCC1CN1CCCC(C)(OC)C1
InChIInChI=1S/C15H30N2O2/c1-4-16-14-6-9-19-11-13(14)10-17-8-5-7-15(2,12-17)18-3/h13-14,16H,4-12H2,1-3H3
InChIKeyDEMALPDCSLCNNG-UHFFFAOYSA-N
XLogP1.50
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,4-diethyl-2-[(3-methoxy-3-methylpiperidin-1-yl)methyl]cyclohexan-1-amine
CID 107395213
N-ethyl-2-[2-(3-methoxy-3-methylpiperidin-1-yl)ethyl]cyclopentan-1-amine
CID 107391928
N-ethyl-3-[(3-propoxypiperidin-1-yl)methyl]oxan-4-amine
CID 103059767
N-ethyl-3-[(4-propylpiperidin-1-yl)methyl]oxan-4-amine
CID 103059033
4-methyl-1-[[4-(propylamino)oxan-3-yl]methyl]azepan-4-ol
CID 107408715
3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)-N-ethyloxan-4-amine
CID 103060558
N-ethyl-3-[(2-methylazepan-1-yl)methyl]oxan-4-amine
CID 103060277
6-[(3-methoxy-3-methylpiperidin-1-yl)methyl]-2,2-dimethylcyclohexan-1-amine
CID 107395119
N-ethyl-3-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]oxan-4-amine
CID 103060481
2-[2-(3-methoxy-3-methylpiperidin-1-yl)ethyl]-N-propylcyclopentan-1-amine
CID 107392083
N-ethyl-3-[(2-ethylpiperidin-1-yl)methyl]oxan-4-amine
CID 103058730
[1-[[4-(ethylamino)oxan-3-yl]methyl]-3-methylpyrrolidin-2-yl]methanol
CID 103061043

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[(3-methoxy-3-methylpiperidin-1-yl)methyl]oxan-4-amine?
The IUPAC name of N-ethyl-3-[(3-methoxy-3-methylpiperidin-1-yl)methyl]oxan-4-amine (CID 107395161) is N-ethyl-3-[(3-methoxy-3-methylpiperidin-1-yl)methyl]oxan-4-amine.
What is the SMILES notation for N-ethyl-3-[(3-methoxy-3-methylpiperidin-1-yl)methyl]oxan-4-amine?
The canonical SMILES for N-ethyl-3-[(3-methoxy-3-methylpiperidin-1-yl)methyl]oxan-4-amine is CCNC1CCOCC1CN1CCCC(C)(OC)C1.
What is the InChIKey of N-ethyl-3-[(3-methoxy-3-methylpiperidin-1-yl)methyl]oxan-4-amine?
The InChIKey is DEMALPDCSLCNNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-4-16-14-6-9-19-11-13(14)10-17-8-5-7-15(2,12-17)18-3/h13-14,16H,4-12H2,1-3H3.
What are the key properties of N-ethyl-3-[(3-methoxy-3-methylpiperidin-1-yl)methyl]oxan-4-amine?
N-ethyl-3-[(3-methoxy-3-methylpiperidin-1-yl)methyl]oxan-4-amine has a molecular weight of 270.42 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[(3-methoxy-3-methylpiperidin-1-yl)methyl]oxan-4-amine is sourced from PubChem (CID 107395161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).