N-ethyl-3-methyl-3-piperidin-1-yl-1-propoxybutan-2-amine

C15H32N2O — CID 79574688

IUPACN-ethyl-3-methyl-3-piperidin-1-yl-1-propoxybutan-2-amine
SMILESCCCOCC(NCC)C(C)(C)N1CCCCC1
InChIInChI=1S/C15H32N2O/c1-5-12-18-13-14(16-6-2)15(3,4)17-10-8-7-9-11-17/h14,16H,5-13H2,1-4H3
InChIKeyWPYAAFUZXDFXHM-UHFFFAOYSA-N
MW256.43 g/mol
LogP2.66
Rot. Bonds8

About N-ethyl-3-methyl-3-piperidin-1-yl-1-propoxybutan-2-amine

N-ethyl-3-methyl-3-piperidin-1-yl-1-propoxybutan-2-amine (PubChem CID 79574688) 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-propoxybutan-2-amine.

Molecular Properties

Compound NameN-ethyl-3-methyl-3-piperidin-1-yl-1-propoxybutan-2-amine
PubChem CID79574688
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC NameN-ethyl-3-methyl-3-piperidin-1-yl-1-propoxybutan-2-amine
SMILESCCCOCC(NCC)C(C)(C)N1CCCCC1
InChIInChI=1S/C15H32N2O/c1-5-12-18-13-14(16-6-2)15(3,4)17-10-8-7-9-11-17/h14,16H,5-13H2,1-4H3
InChIKeyWPYAAFUZXDFXHM-UHFFFAOYSA-N
XLogP2.66
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-3-piperidin-1-yl-1-propoxybutan-2-amine?
The IUPAC name of N-ethyl-3-methyl-3-piperidin-1-yl-1-propoxybutan-2-amine (CID 79574688) is N-ethyl-3-methyl-3-piperidin-1-yl-1-propoxybutan-2-amine.
What is the SMILES notation for N-ethyl-3-methyl-3-piperidin-1-yl-1-propoxybutan-2-amine?
The canonical SMILES for N-ethyl-3-methyl-3-piperidin-1-yl-1-propoxybutan-2-amine is CCCOCC(NCC)C(C)(C)N1CCCCC1.
What is the InChIKey of N-ethyl-3-methyl-3-piperidin-1-yl-1-propoxybutan-2-amine?
The InChIKey is WPYAAFUZXDFXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-5-12-18-13-14(16-6-2)15(3,4)17-10-8-7-9-11-17/h14,16H,5-13H2,1-4H3.
What are the key properties of N-ethyl-3-methyl-3-piperidin-1-yl-1-propoxybutan-2-amine?
N-ethyl-3-methyl-3-piperidin-1-yl-1-propoxybutan-2-amine has a molecular weight of 256.43 g/mol, XLogP of 2.66, 8 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-propoxybutan-2-amine is sourced from PubChem (CID 79574688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).