3-ethyl-1-(3-methoxy-3-methylbutyl)piperidin-4-amine

C13H28N2O — CID 103032483

IUPAC3-ethyl-1-(3-methoxy-3-methylbutyl)piperidin-4-amine
SMILESCCC1CN(CCC(C)(C)OC)CCC1N
InChIInChI=1S/C13H28N2O/c1-5-11-10-15(8-6-12(11)14)9-7-13(2,3)16-4/h11-12H,5-10,14H2,1-4H3
InChIKeyPKIWEOXEGAZYBL-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.86
Rot. Bonds5

About 3-ethyl-1-(3-methoxy-3-methylbutyl)piperidin-4-amine

3-ethyl-1-(3-methoxy-3-methylbutyl)piperidin-4-amine (PubChem CID 103032483) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 3-ethyl-1-(3-methoxy-3-methylbutyl)piperidin-4-amine.

Molecular Properties

Compound Name3-ethyl-1-(3-methoxy-3-methylbutyl)piperidin-4-amine
PubChem CID103032483
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name3-ethyl-1-(3-methoxy-3-methylbutyl)piperidin-4-amine
SMILESCCC1CN(CCC(C)(C)OC)CCC1N
InChIInChI=1S/C13H28N2O/c1-5-11-10-15(8-6-12(11)14)9-7-13(2,3)16-4/h11-12H,5-10,14H2,1-4H3
InChIKeyPKIWEOXEGAZYBL-UHFFFAOYSA-N
XLogP1.86
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(3-methoxy-3-methylbutyl)pyrrolidin-3-yl]methanamine
CID 103034833
2-(4-amino-3-ethylpiperidin-1-yl)ethanol
CID 81459105
3-ethyl-1-(2-piperidin-1-ylethyl)piperidin-4-amine
CID 81459970
3-ethyl-1-(3-methylbutyl)piperidin-4-amine
CID 81457708
3-ethyl-1-(2-morpholin-4-ylethyl)piperidin-4-amine
CID 81460442
methyl N-[2-(4-amino-3-ethylpiperidin-1-yl)acetyl]carbamate
CID 81460877
1-[2-(diethylamino)ethyl]-3-ethylpiperidin-4-amine
CID 81458962
3-ethyl-1-(3-methoxy-3-methylbutyl)piperazine
CID 103016155
3-(2-chloroethyl)-1-(3-methoxy-3-methylbutyl)pyrrolidine
CID 103037292
2-[2-(4-amino-3-ethylpiperidin-1-yl)ethoxy]ethanol
CID 81460608
3-ethyl-1-(3-methylbut-3-enyl)piperidin-4-amine
CID 114473405
methyl 2-(4-amino-3-ethylpiperidin-1-yl)acetate
CID 81460463

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(3-methoxy-3-methylbutyl)piperidin-4-amine?
The IUPAC name of 3-ethyl-1-(3-methoxy-3-methylbutyl)piperidin-4-amine (CID 103032483) is 3-ethyl-1-(3-methoxy-3-methylbutyl)piperidin-4-amine.
What is the SMILES notation for 3-ethyl-1-(3-methoxy-3-methylbutyl)piperidin-4-amine?
The canonical SMILES for 3-ethyl-1-(3-methoxy-3-methylbutyl)piperidin-4-amine is CCC1CN(CCC(C)(C)OC)CCC1N.
What is the InChIKey of 3-ethyl-1-(3-methoxy-3-methylbutyl)piperidin-4-amine?
The InChIKey is PKIWEOXEGAZYBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-5-11-10-15(8-6-12(11)14)9-7-13(2,3)16-4/h11-12H,5-10,14H2,1-4H3.
What are the key properties of 3-ethyl-1-(3-methoxy-3-methylbutyl)piperidin-4-amine?
3-ethyl-1-(3-methoxy-3-methylbutyl)piperidin-4-amine has a molecular weight of 228.38 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(3-methoxy-3-methylbutyl)piperidin-4-amine is sourced from PubChem (CID 103032483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).