N-[2-(3-ethoxypiperidin-1-yl)ethyl]-2-methylbutan-2-amine

C14H30N2O — CID 62556737

IUPACN-[2-(3-ethoxypiperidin-1-yl)ethyl]-2-methylbutan-2-amine
SMILESCCOC1CCCN(CCNC(C)(C)CC)C1
InChIInChI=1S/C14H30N2O/c1-5-14(3,4)15-9-11-16-10-7-8-13(12-16)17-6-2/h13,15H,5-12H2,1-4H3
InChIKeyAXHPBLBRWPDYOX-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.27
Rot. Bonds7

About N-[2-(3-ethoxypiperidin-1-yl)ethyl]-2-methylbutan-2-amine

N-[2-(3-ethoxypiperidin-1-yl)ethyl]-2-methylbutan-2-amine (PubChem CID 62556737) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is N-[2-(3-ethoxypiperidin-1-yl)ethyl]-2-methylbutan-2-amine.

Molecular Properties

Compound NameN-[2-(3-ethoxypiperidin-1-yl)ethyl]-2-methylbutan-2-amine
PubChem CID62556737
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC NameN-[2-(3-ethoxypiperidin-1-yl)ethyl]-2-methylbutan-2-amine
SMILESCCOC1CCCN(CCNC(C)(C)CC)C1
InChIInChI=1S/C14H30N2O/c1-5-14(3,4)15-9-11-16-10-7-8-13(12-16)17-6-2/h13,15H,5-12H2,1-4H3
InChIKeyAXHPBLBRWPDYOX-UHFFFAOYSA-N
XLogP2.27
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-ethoxypiperidin-1-yl)ethyl]-2-methylbutan-2-amine?
The IUPAC name of N-[2-(3-ethoxypiperidin-1-yl)ethyl]-2-methylbutan-2-amine (CID 62556737) is N-[2-(3-ethoxypiperidin-1-yl)ethyl]-2-methylbutan-2-amine.
What is the SMILES notation for N-[2-(3-ethoxypiperidin-1-yl)ethyl]-2-methylbutan-2-amine?
The canonical SMILES for N-[2-(3-ethoxypiperidin-1-yl)ethyl]-2-methylbutan-2-amine is CCOC1CCCN(CCNC(C)(C)CC)C1.
What is the InChIKey of N-[2-(3-ethoxypiperidin-1-yl)ethyl]-2-methylbutan-2-amine?
The InChIKey is AXHPBLBRWPDYOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-5-14(3,4)15-9-11-16-10-7-8-13(12-16)17-6-2/h13,15H,5-12H2,1-4H3.
What are the key properties of N-[2-(3-ethoxypiperidin-1-yl)ethyl]-2-methylbutan-2-amine?
N-[2-(3-ethoxypiperidin-1-yl)ethyl]-2-methylbutan-2-amine has a molecular weight of 242.41 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-ethoxypiperidin-1-yl)ethyl]-2-methylbutan-2-amine is sourced from PubChem (CID 62556737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).