N-ethyl-4-methoxy-4-methyl-1-propoxypentan-2-amine

C12H27NO2 — CID 103028529

IUPACN-ethyl-4-methoxy-4-methyl-1-propoxypentan-2-amine
SMILESCCCOCC(CC(C)(C)OC)NCC
InChIInChI=1S/C12H27NO2/c1-6-8-15-10-11(13-7-2)9-12(3,4)14-5/h11,13H,6-10H2,1-5H3
InChIKeyQYHGDIBBPQOXIU-UHFFFAOYSA-N
MW217.35 g/mol
LogP2.21
Rot. Bonds9

About N-ethyl-4-methoxy-4-methyl-1-propoxypentan-2-amine

N-ethyl-4-methoxy-4-methyl-1-propoxypentan-2-amine (PubChem CID 103028529) has the molecular formula C12H27NO2 and a molecular weight of 217.35 g/mol. Its IUPAC name is N-ethyl-4-methoxy-4-methyl-1-propoxypentan-2-amine.

Molecular Properties

Compound NameN-ethyl-4-methoxy-4-methyl-1-propoxypentan-2-amine
PubChem CID103028529
Molecular FormulaC12H27NO2
Molecular Weight217.35 g/mol
Exact Mass217.20
IUPAC NameN-ethyl-4-methoxy-4-methyl-1-propoxypentan-2-amine
SMILESCCCOCC(CC(C)(C)OC)NCC
InChIInChI=1S/C12H27NO2/c1-6-8-15-10-11(13-7-2)9-12(3,4)14-5/h11,13H,6-10H2,1-5H3
InChIKeyQYHGDIBBPQOXIU-UHFFFAOYSA-N
XLogP2.21
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.35
LogP ≤ 52.21
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-4-methoxy-4-methyl-1-propoxypentan-2-amine?
The IUPAC name of N-ethyl-4-methoxy-4-methyl-1-propoxypentan-2-amine (CID 103028529) is N-ethyl-4-methoxy-4-methyl-1-propoxypentan-2-amine.
What is the SMILES notation for N-ethyl-4-methoxy-4-methyl-1-propoxypentan-2-amine?
The canonical SMILES for N-ethyl-4-methoxy-4-methyl-1-propoxypentan-2-amine is CCCOCC(CC(C)(C)OC)NCC.
What is the InChIKey of N-ethyl-4-methoxy-4-methyl-1-propoxypentan-2-amine?
The InChIKey is QYHGDIBBPQOXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO2/c1-6-8-15-10-11(13-7-2)9-12(3,4)14-5/h11,13H,6-10H2,1-5H3.
What are the key properties of N-ethyl-4-methoxy-4-methyl-1-propoxypentan-2-amine?
N-ethyl-4-methoxy-4-methyl-1-propoxypentan-2-amine has a molecular weight of 217.35 g/mol, XLogP of 2.21, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methoxy-4-methyl-1-propoxypentan-2-amine is sourced from PubChem (CID 103028529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).