1-methoxy-N-[2-(2-methylpropoxy)ethyl]pentan-2-amine

C12H27NO2 — CID 106452067

IUPAC1-methoxy-N-[2-(2-methylpropoxy)ethyl]pentan-2-amine
SMILESCCCC(COC)NCCOCC(C)C
InChIInChI=1S/C12H27NO2/c1-5-6-12(10-14-4)13-7-8-15-9-11(2)3/h11-13H,5-10H2,1-4H3
InChIKeyZDHLWZRKGAQYCE-UHFFFAOYSA-N
MW217.35 g/mol
LogP2.06
Rot. Bonds10

About 1-methoxy-N-[2-(2-methylpropoxy)ethyl]pentan-2-amine

1-methoxy-N-[2-(2-methylpropoxy)ethyl]pentan-2-amine (PubChem CID 106452067) has the molecular formula C12H27NO2 and a molecular weight of 217.35 g/mol. Its IUPAC name is 1-methoxy-N-[2-(2-methylpropoxy)ethyl]pentan-2-amine.

Molecular Properties

Compound Name1-methoxy-N-[2-(2-methylpropoxy)ethyl]pentan-2-amine
PubChem CID106452067
Molecular FormulaC12H27NO2
Molecular Weight217.35 g/mol
Exact Mass217.20
IUPAC Name1-methoxy-N-[2-(2-methylpropoxy)ethyl]pentan-2-amine
SMILESCCCC(COC)NCCOCC(C)C
InChIInChI=1S/C12H27NO2/c1-5-6-12(10-14-4)13-7-8-15-9-11(2)3/h11-13H,5-10H2,1-4H3
InChIKeyZDHLWZRKGAQYCE-UHFFFAOYSA-N
XLogP2.06
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.35
LogP ≤ 52.06
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-(4-methoxybutyl)pentan-2-amine
CID 104647445
1-methoxy-N-[2-(2-methoxyethoxy)ethyl]hexan-2-amine
CID 115712453
N-[2-(2-methylpentoxy)ethyl]pentan-3-amine
CID 103285771
1-methoxy-N-[2-[2-(2-methylpropoxy)ethoxy]ethyl]propan-2-amine
CID 106450224
N-methyl-1-[2-(2-methylpropoxy)ethoxy]pentan-2-amine
CID 106447296
2-[2-(1-methoxyhexan-2-ylamino)ethoxy]ethanol
CID 115707263
4-methyl-2-[2-(2-methylpropoxy)ethylamino]pentan-1-ol
CID 106451757
5-methyl-1-propoxy-N-propylhexan-2-amine
CID 62605077
methyl 2-[2-(2-methylpropoxy)ethylamino]hexanoate
CID 103267598
2-[2-(heptan-4-ylamino)ethoxy]ethanol
CID 28727805
1-ethoxy-N-[2-(2-methylpropoxy)ethyl]propan-2-amine
CID 115713728
N-[3-(2-methylpropoxy)propyl]pentan-3-amine
CID 28681675

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-N-[2-(2-methylpropoxy)ethyl]pentan-2-amine?
The IUPAC name of 1-methoxy-N-[2-(2-methylpropoxy)ethyl]pentan-2-amine (CID 106452067) is 1-methoxy-N-[2-(2-methylpropoxy)ethyl]pentan-2-amine.
What is the SMILES notation for 1-methoxy-N-[2-(2-methylpropoxy)ethyl]pentan-2-amine?
The canonical SMILES for 1-methoxy-N-[2-(2-methylpropoxy)ethyl]pentan-2-amine is CCCC(COC)NCCOCC(C)C.
What is the InChIKey of 1-methoxy-N-[2-(2-methylpropoxy)ethyl]pentan-2-amine?
The InChIKey is ZDHLWZRKGAQYCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO2/c1-5-6-12(10-14-4)13-7-8-15-9-11(2)3/h11-13H,5-10H2,1-4H3.
What are the key properties of 1-methoxy-N-[2-(2-methylpropoxy)ethyl]pentan-2-amine?
1-methoxy-N-[2-(2-methylpropoxy)ethyl]pentan-2-amine has a molecular weight of 217.35 g/mol, XLogP of 2.06, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-N-[2-(2-methylpropoxy)ethyl]pentan-2-amine is sourced from PubChem (CID 106452067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).