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

C12H27NO2 — CID 106449858

IUPAC2-methyl-N-[2-[2-(2-methylpropoxy)ethoxy]ethyl]propan-1-amine
SMILESCC(C)CNCCOCCOCC(C)C
InChIInChI=1S/C12H27NO2/c1-11(2)9-13-5-6-14-7-8-15-10-12(3)4/h11-13H,5-10H2,1-4H3
InChIKeyLCQISHFISZWJFT-UHFFFAOYSA-N
MW217.35 g/mol
LogP1.92
Rot. Bonds10

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

2-methyl-N-[2-[2-(2-methylpropoxy)ethoxy]ethyl]propan-1-amine (PubChem CID 106449858) has the molecular formula C12H27NO2 and a molecular weight of 217.35 g/mol. Its IUPAC name is 2-methyl-N-[2-[2-(2-methylpropoxy)ethoxy]ethyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[2-[2-(2-methylpropoxy)ethoxy]ethyl]propan-1-amine
PubChem CID106449858
Molecular FormulaC12H27NO2
Molecular Weight217.35 g/mol
Exact Mass217.20
IUPAC Name2-methyl-N-[2-[2-(2-methylpropoxy)ethoxy]ethyl]propan-1-amine
SMILESCC(C)CNCCOCCOCC(C)C
InChIInChI=1S/C12H27NO2/c1-11(2)9-13-5-6-14-7-8-15-10-12(3)4/h11-13H,5-10H2,1-4H3
InChIKeyLCQISHFISZWJFT-UHFFFAOYSA-N
XLogP1.92
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 ≤ 51.92
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

2-methyl-N-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethyl]propan-1-amine
CID 146640685
1-[2-[2-[2-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]ethoxy]ethoxy]ethylamino]-3-propoxypropan-2-ol
CID 146475954
(2S)-1-[2-[2-(2-methylpropylamino)ethoxy]ethylamino]propane-2-thiol
CID 167242879
N-[2-[2-(3-aminopropoxy)ethoxy]ethyl]-2-methylpropan-1-amine
CID 171539596
N-(2-ethoxyethyl)-2-methylpropan-1-amine
CID 43387935
2-chloro-N-[2-(2-methylpropoxy)ethyl]butan-1-amine
CID 106457838
2-ethoxy-N-[2-(2-methylpropoxy)ethyl]propan-1-amine
CID 106452518
2-methyl-1-(2-methylpropoxy)propane;2-methyl-N-(2-methylpropyl)propan-1-amine
CID 167710729
2-methyl-N-[2-(4-methylpentoxy)ethyl]propan-1-amine;molecular hydrogen
CID 157169252
N-(2-heptoxyethyl)-2-methylpropan-1-amine
CID 62457906
ethane;N-methyl-2-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]ethanamine;molecular hydrogen
CID 166117976
N-[2-(2-methylpropoxy)ethyl]-3-propoxypropan-1-amine
CID 106452398

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[2-(2-methylpropoxy)ethoxy]ethyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[2-[2-(2-methylpropoxy)ethoxy]ethyl]propan-1-amine (CID 106449858) is 2-methyl-N-[2-[2-(2-methylpropoxy)ethoxy]ethyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[2-[2-(2-methylpropoxy)ethoxy]ethyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[2-[2-(2-methylpropoxy)ethoxy]ethyl]propan-1-amine is CC(C)CNCCOCCOCC(C)C.
What is the InChIKey of 2-methyl-N-[2-[2-(2-methylpropoxy)ethoxy]ethyl]propan-1-amine?
The InChIKey is LCQISHFISZWJFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO2/c1-11(2)9-13-5-6-14-7-8-15-10-12(3)4/h11-13H,5-10H2,1-4H3.
What are the key properties of 2-methyl-N-[2-[2-(2-methylpropoxy)ethoxy]ethyl]propan-1-amine?
2-methyl-N-[2-[2-(2-methylpropoxy)ethoxy]ethyl]propan-1-amine has a molecular weight of 217.35 g/mol, XLogP of 1.92, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[2-(2-methylpropoxy)ethoxy]ethyl]propan-1-amine is sourced from PubChem (CID 106449858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).