5-methoxy-N-methyl-1-propoxyhexan-2-amine

C11H25NO2 — CID 105165354

IUPAC5-methoxy-N-methyl-1-propoxyhexan-2-amine
SMILESCCCOCC(CCC(C)OC)NC
InChIInChI=1S/C11H25NO2/c1-5-8-14-9-11(12-3)7-6-10(2)13-4/h10-12H,5-9H2,1-4H3
InChIKeyWRBHZCWXKIVMBG-UHFFFAOYSA-N
MW203.33 g/mol
LogP1.82
Rot. Bonds9

About 5-methoxy-N-methyl-1-propoxyhexan-2-amine

5-methoxy-N-methyl-1-propoxyhexan-2-amine (PubChem CID 105165354) has the molecular formula C11H25NO2 and a molecular weight of 203.33 g/mol. Its IUPAC name is 5-methoxy-N-methyl-1-propoxyhexan-2-amine.

Molecular Properties

Compound Name5-methoxy-N-methyl-1-propoxyhexan-2-amine
PubChem CID105165354
Molecular FormulaC11H25NO2
Molecular Weight203.33 g/mol
Exact Mass203.19
IUPAC Name5-methoxy-N-methyl-1-propoxyhexan-2-amine
SMILESCCCOCC(CCC(C)OC)NC
InChIInChI=1S/C11H25NO2/c1-5-8-14-9-11(12-3)7-6-10(2)13-4/h10-12H,5-9H2,1-4H3
InChIKeyWRBHZCWXKIVMBG-UHFFFAOYSA-N
XLogP1.82
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 51.82
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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Related Compounds

1-methoxy-N-methyl-3-(2-propoxyethoxy)propan-2-amine
CID 107506859
1-ethoxy-N-methyl-3-propoxypropan-2-amine
CID 79574489
N-methyl-1-[2-(2-methylpropoxy)ethoxy]pentan-2-amine
CID 106447296
N-methyl-1-propoxyhex-5-yn-2-amine
CID 63655883
1-methoxy-N-methyl-5-propoxypentan-2-amine
CID 106454502
2-methoxy-1-(2-propoxyethoxy)propane
CID 131970313
N,6-dimethyl-1-propoxyheptan-3-amine
CID 105126755
N-methyl-1-(2-methylpropoxy)pentan-2-amine
CID 62044307
5-methyl-1-propoxy-N-propylhexan-2-amine
CID 62605077
N-methyl-1-propoxyhex-4-yn-2-amine
CID 62309595
N-methyl-1-(2-propoxyethoxy)propan-2-amine
CID 63686556
(2S)-1-methoxy-N-methylhexan-2-amine
CID 177242292

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-methyl-1-propoxyhexan-2-amine?
The IUPAC name of 5-methoxy-N-methyl-1-propoxyhexan-2-amine (CID 105165354) is 5-methoxy-N-methyl-1-propoxyhexan-2-amine.
What is the SMILES notation for 5-methoxy-N-methyl-1-propoxyhexan-2-amine?
The canonical SMILES for 5-methoxy-N-methyl-1-propoxyhexan-2-amine is CCCOCC(CCC(C)OC)NC.
What is the InChIKey of 5-methoxy-N-methyl-1-propoxyhexan-2-amine?
The InChIKey is WRBHZCWXKIVMBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO2/c1-5-8-14-9-11(12-3)7-6-10(2)13-4/h10-12H,5-9H2,1-4H3.
What are the key properties of 5-methoxy-N-methyl-1-propoxyhexan-2-amine?
5-methoxy-N-methyl-1-propoxyhexan-2-amine has a molecular weight of 203.33 g/mol, XLogP of 1.82, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-methyl-1-propoxyhexan-2-amine is sourced from PubChem (CID 105165354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).