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

C12H27NO3 — CID 106450224

IUPAC1-methoxy-N-[2-[2-(2-methylpropoxy)ethoxy]ethyl]propan-2-amine
SMILESCOCC(C)NCCOCCOCC(C)C
InChIInChI=1S/C12H27NO3/c1-11(2)9-16-8-7-15-6-5-13-12(3)10-14-4/h11-13H,5-10H2,1-4H3
InChIKeyGOHUEJMNTITJFZ-UHFFFAOYSA-N
MW233.35 g/mol
LogP1.30
Rot. Bonds11

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

1-methoxy-N-[2-[2-(2-methylpropoxy)ethoxy]ethyl]propan-2-amine (PubChem CID 106450224) has the molecular formula C12H27NO3 and a molecular weight of 233.35 g/mol. Its IUPAC name is 1-methoxy-N-[2-[2-(2-methylpropoxy)ethoxy]ethyl]propan-2-amine.

Molecular Properties

Compound Name1-methoxy-N-[2-[2-(2-methylpropoxy)ethoxy]ethyl]propan-2-amine
PubChem CID106450224
Molecular FormulaC12H27NO3
Molecular Weight233.35 g/mol
Exact Mass233.20
IUPAC Name1-methoxy-N-[2-[2-(2-methylpropoxy)ethoxy]ethyl]propan-2-amine
SMILESCOCC(C)NCCOCCOCC(C)C
InChIInChI=1S/C12H27NO3/c1-11(2)9-16-8-7-15-6-5-13-12(3)10-14-4/h11-13H,5-10H2,1-4H3
InChIKeyGOHUEJMNTITJFZ-UHFFFAOYSA-N
XLogP1.30
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-ethoxy-N-[2-(2-methylpropoxy)ethyl]propan-2-amine
CID 115713728
1-methoxy-N-(2-methoxyethyl)propan-2-amine
CID 43199128
ethane;1-methoxy-N-(2-methoxyethyl)propan-2-amine
CID 142226149
1-methoxy-N-(2-octoxyethyl)propan-2-amine
CID 62599716
1-methoxy-N-(2-propan-2-yloxyethyl)propan-2-amine
CID 60688575
1-methoxy-N-[2-(2-methylpropoxy)ethyl]pentan-2-amine
CID 106452067
2-methyl-N-[2-[2-(2-methylpropoxy)ethoxy]ethyl]propan-1-amine
CID 106449858
N-[(2S)-1-methoxypropan-2-yl]-4-methylpentan-1-amine
CID 88856095
N-[2-[(4-bromophenyl)methoxy]ethyl]-1-methoxypropan-2-amine
CID 82825096
ethane;N-methyl-2-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]ethanamine;molecular hydrogen
CID 166117976
N-[2-(2-methylpropoxy)ethyl]-1-piperidin-1-ylpropan-2-amine
CID 106451807
N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-1-ethoxypropan-2-amine
CID 104562069

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-N-[2-[2-(2-methylpropoxy)ethoxy]ethyl]propan-2-amine?
The IUPAC name of 1-methoxy-N-[2-[2-(2-methylpropoxy)ethoxy]ethyl]propan-2-amine (CID 106450224) is 1-methoxy-N-[2-[2-(2-methylpropoxy)ethoxy]ethyl]propan-2-amine.
What is the SMILES notation for 1-methoxy-N-[2-[2-(2-methylpropoxy)ethoxy]ethyl]propan-2-amine?
The canonical SMILES for 1-methoxy-N-[2-[2-(2-methylpropoxy)ethoxy]ethyl]propan-2-amine is COCC(C)NCCOCCOCC(C)C.
What is the InChIKey of 1-methoxy-N-[2-[2-(2-methylpropoxy)ethoxy]ethyl]propan-2-amine?
The InChIKey is GOHUEJMNTITJFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO3/c1-11(2)9-16-8-7-15-6-5-13-12(3)10-14-4/h11-13H,5-10H2,1-4H3.
What are the key properties of 1-methoxy-N-[2-[2-(2-methylpropoxy)ethoxy]ethyl]propan-2-amine?
1-methoxy-N-[2-[2-(2-methylpropoxy)ethoxy]ethyl]propan-2-amine has a molecular weight of 233.35 g/mol, XLogP of 1.30, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-N-[2-[2-(2-methylpropoxy)ethoxy]ethyl]propan-2-amine is sourced from PubChem (CID 106450224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).