2-ethoxy-3-(4-methylpentoxy)propan-1-amine

C11H25NO2 — CID 63070823

IUPAC2-ethoxy-3-(4-methylpentoxy)propan-1-amine
SMILESCCOC(CN)COCCCC(C)C
InChIInChI=1S/C11H25NO2/c1-4-14-11(8-12)9-13-7-5-6-10(2)3/h10-11H,4-9,12H2,1-3H3
InChIKeyQCRORAREIFSEDC-UHFFFAOYSA-N
MW203.33 g/mol
LogP1.80
Rot. Bonds9

About 2-ethoxy-3-(4-methylpentoxy)propan-1-amine

2-ethoxy-3-(4-methylpentoxy)propan-1-amine (PubChem CID 63070823) has the molecular formula C11H25NO2 and a molecular weight of 203.33 g/mol. Its IUPAC name is 2-ethoxy-3-(4-methylpentoxy)propan-1-amine.

Molecular Properties

Compound Name2-ethoxy-3-(4-methylpentoxy)propan-1-amine
PubChem CID63070823
Molecular FormulaC11H25NO2
Molecular Weight203.33 g/mol
Exact Mass203.19
IUPAC Name2-ethoxy-3-(4-methylpentoxy)propan-1-amine
SMILESCCOC(CN)COCCCC(C)C
InChIInChI=1S/C11H25NO2/c1-4-14-11(8-12)9-13-7-5-6-10(2)3/h10-11H,4-9,12H2,1-3H3
InChIKeyQCRORAREIFSEDC-UHFFFAOYSA-N
XLogP1.80
TPSA44.48 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 ≤ 51.80
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

3-(2-cyclopropylethoxy)-2-ethoxypropan-1-amine
CID 106200247
3-octadecoxy-2-tetradecoxypropan-1-amine
CID 10209091
2-dodecoxy-3-hexadecoxypropan-1-amine
CID 10299682
2-hexadecoxy-3-tetradecoxypropan-1-amine
CID 11827343
2-ethoxy-3-octan-2-yloxypropan-1-amine
CID 63070633
2-ethoxy-3-propan-2-yloxypropan-1-amine
CID 63069873
(2R)-3-[15-[(1R,3S)-3-[15-[(2R)-3-amino-2-[(7R,11R)-3,7,11,15-tetramethylhexadecoxy]propoxy]pentadecyl]cyclopentyl]pentadecoxy]-2-[(7R,11R)-3,7,11,15-tetramethylhexadecoxy]propan-1-amine
CID 23657713
2-[1-[1-[1-[1-(4-methylpentoxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]ethanamine
CID 172516373
1-[1,3-bis(2-methoxyethoxy)propan-2-yloxy]-4-methylpentane
CID 158254668
9-(4-methylpentoxymethyl)nonadecane
CID 59523007
1-(2-butoxybutoxy)-17-methyloctadecane
CID 126586639
4-methyl-1-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]pentane
CID 58371353

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3-(4-methylpentoxy)propan-1-amine?
The IUPAC name of 2-ethoxy-3-(4-methylpentoxy)propan-1-amine (CID 63070823) is 2-ethoxy-3-(4-methylpentoxy)propan-1-amine.
What is the SMILES notation for 2-ethoxy-3-(4-methylpentoxy)propan-1-amine?
The canonical SMILES for 2-ethoxy-3-(4-methylpentoxy)propan-1-amine is CCOC(CN)COCCCC(C)C.
What is the InChIKey of 2-ethoxy-3-(4-methylpentoxy)propan-1-amine?
The InChIKey is QCRORAREIFSEDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO2/c1-4-14-11(8-12)9-13-7-5-6-10(2)3/h10-11H,4-9,12H2,1-3H3.
What are the key properties of 2-ethoxy-3-(4-methylpentoxy)propan-1-amine?
2-ethoxy-3-(4-methylpentoxy)propan-1-amine has a molecular weight of 203.33 g/mol, XLogP of 1.80, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-(4-methylpentoxy)propan-1-amine is sourced from PubChem (CID 63070823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).