N-[2-(2-methylpropoxy)ethyl]-3-propoxypropan-1-amine

C12H27NO2 — CID 106452398

IUPACN-[2-(2-methylpropoxy)ethyl]-3-propoxypropan-1-amine
SMILESCCCOCCCNCCOCC(C)C
InChIInChI=1S/C12H27NO2/c1-4-8-14-9-5-6-13-7-10-15-11-12(2)3/h12-13H,4-11H2,1-3H3
InChIKeyGTAJWGFZSGEKGL-UHFFFAOYSA-N
MW217.35 g/mol
LogP2.07
Rot. Bonds11

About N-[2-(2-methylpropoxy)ethyl]-3-propoxypropan-1-amine

N-[2-(2-methylpropoxy)ethyl]-3-propoxypropan-1-amine (PubChem CID 106452398) has the molecular formula C12H27NO2 and a molecular weight of 217.35 g/mol. Its IUPAC name is N-[2-(2-methylpropoxy)ethyl]-3-propoxypropan-1-amine.

Molecular Properties

Compound NameN-[2-(2-methylpropoxy)ethyl]-3-propoxypropan-1-amine
PubChem CID106452398
Molecular FormulaC12H27NO2
Molecular Weight217.35 g/mol
Exact Mass217.20
IUPAC NameN-[2-(2-methylpropoxy)ethyl]-3-propoxypropan-1-amine
SMILESCCCOCCCNCCOCC(C)C
InChIInChI=1S/C12H27NO2/c1-4-8-14-9-5-6-13-7-10-15-11-12(2)3/h12-13H,4-11H2,1-3H3
InChIKeyGTAJWGFZSGEKGL-UHFFFAOYSA-N
XLogP2.07
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.35
LogP ≤ 52.07
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-(2-methylpropoxy)-3-(3-propoxypropylamino)propan-2-ol
CID 82943587
2-(4-propoxybutoxy)-N-[2-(4-propoxybutoxy)ethyl]ethanamine
CID 87914124
2-[2-(3-propoxypropylamino)ethoxy]ethanol
CID 82944061
2-[3-(2-propoxyethylamino)propoxy]ethanol
CID 106310032
2-methyl-N-[3-(2-propoxyethoxy)propyl]propan-1-amine
CID 63684721
1-[2-[2-[2-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]ethoxy]ethoxy]ethylamino]-3-propoxypropan-2-ol
CID 146475954
3-methoxy-N-[2-(2-propoxyethoxy)ethyl]propan-1-amine
CID 63685704
N-ethyl-4-(2-methylpropoxy)butan-1-amine
CID 62445495
2-butoxy-N-[2-(2-methylpentoxy)ethyl]ethanamine
CID 103285765
6-bromo-N-[2-(2-methylpropoxy)ethyl]hexan-1-amine
CID 107844233
3,3,3-trifluoro-N-[3-(2-methylpropoxy)propyl]propan-1-amine
CID 103605804
2-methyl-N-[2-[2-(2-methylpropoxy)ethoxy]ethyl]propan-1-amine
CID 106449858

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylpropoxy)ethyl]-3-propoxypropan-1-amine?
The IUPAC name of N-[2-(2-methylpropoxy)ethyl]-3-propoxypropan-1-amine (CID 106452398) is N-[2-(2-methylpropoxy)ethyl]-3-propoxypropan-1-amine.
What is the SMILES notation for N-[2-(2-methylpropoxy)ethyl]-3-propoxypropan-1-amine?
The canonical SMILES for N-[2-(2-methylpropoxy)ethyl]-3-propoxypropan-1-amine is CCCOCCCNCCOCC(C)C.
What is the InChIKey of N-[2-(2-methylpropoxy)ethyl]-3-propoxypropan-1-amine?
The InChIKey is GTAJWGFZSGEKGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO2/c1-4-8-14-9-5-6-13-7-10-15-11-12(2)3/h12-13H,4-11H2,1-3H3.
What are the key properties of N-[2-(2-methylpropoxy)ethyl]-3-propoxypropan-1-amine?
N-[2-(2-methylpropoxy)ethyl]-3-propoxypropan-1-amine has a molecular weight of 217.35 g/mol, XLogP of 2.07, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylpropoxy)ethyl]-3-propoxypropan-1-amine is sourced from PubChem (CID 106452398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).