N-ethyl-N-methyl-2-(4-methylpentoxy)ethanamine

C11H25NO — CID 155741077

IUPACN-ethyl-N-methyl-2-(4-methylpentoxy)ethanamine
SMILESCCN(C)CCOCCCC(C)C
InChIInChI=1S/C11H25NO/c1-5-12(4)8-10-13-9-6-7-11(2)3/h11H,5-10H2,1-4H3
InChIKeyYMKKNEANBGPCAU-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.39
Rot. Bonds8

About N-ethyl-N-methyl-2-(4-methylpentoxy)ethanamine

N-ethyl-N-methyl-2-(4-methylpentoxy)ethanamine (PubChem CID 155741077) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is N-ethyl-N-methyl-2-(4-methylpentoxy)ethanamine.

Molecular Properties

Compound NameN-ethyl-N-methyl-2-(4-methylpentoxy)ethanamine
PubChem CID155741077
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC NameN-ethyl-N-methyl-2-(4-methylpentoxy)ethanamine
SMILESCCN(C)CCOCCCC(C)C
InChIInChI=1S/C11H25NO/c1-5-12(4)8-10-13-9-6-7-11(2)3/h11H,5-10H2,1-4H3
InChIKeyYMKKNEANBGPCAU-UHFFFAOYSA-N
XLogP2.39
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-N-methyl-2-(4-methylpentoxy)ethanamine?
The IUPAC name of N-ethyl-N-methyl-2-(4-methylpentoxy)ethanamine (CID 155741077) is N-ethyl-N-methyl-2-(4-methylpentoxy)ethanamine.
What is the SMILES notation for N-ethyl-N-methyl-2-(4-methylpentoxy)ethanamine?
The canonical SMILES for N-ethyl-N-methyl-2-(4-methylpentoxy)ethanamine is CCN(C)CCOCCCC(C)C.
What is the InChIKey of N-ethyl-N-methyl-2-(4-methylpentoxy)ethanamine?
The InChIKey is YMKKNEANBGPCAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO/c1-5-12(4)8-10-13-9-6-7-11(2)3/h11H,5-10H2,1-4H3.
What are the key properties of N-ethyl-N-methyl-2-(4-methylpentoxy)ethanamine?
N-ethyl-N-methyl-2-(4-methylpentoxy)ethanamine has a molecular weight of 187.33 g/mol, XLogP of 2.39, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-2-(4-methylpentoxy)ethanamine is sourced from PubChem (CID 155741077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).