1-[2-[2-(4-cyclopropyl-2-methylbutoxy)ethoxy]propoxy]propan-2-amine

C16H33NO3 — CID 165054791

IUPAC1-[2-[2-(4-cyclopropyl-2-methylbutoxy)ethoxy]propoxy]propan-2-amine
SMILESCC(N)COCC(C)OCCOCC(C)CCC1CC1
InChIInChI=1S/C16H33NO3/c1-13(4-5-16-6-7-16)10-18-8-9-20-15(3)12-19-11-14(2)17/h13-16H,4-12,17H2,1-3H3
InChIKeyHJMSLICRJXIFFG-UHFFFAOYSA-N
MW287.44 g/mol
LogP2.60
Rot. Bonds13

About 1-[2-[2-(4-cyclopropyl-2-methylbutoxy)ethoxy]propoxy]propan-2-amine

1-[2-[2-(4-cyclopropyl-2-methylbutoxy)ethoxy]propoxy]propan-2-amine (PubChem CID 165054791) has the molecular formula C16H33NO3 and a molecular weight of 287.44 g/mol. Its IUPAC name is 1-[2-[2-(4-cyclopropyl-2-methylbutoxy)ethoxy]propoxy]propan-2-amine.

Molecular Properties

Compound Name1-[2-[2-(4-cyclopropyl-2-methylbutoxy)ethoxy]propoxy]propan-2-amine
PubChem CID165054791
Molecular FormulaC16H33NO3
Molecular Weight287.44 g/mol
Exact Mass287.25
IUPAC Name1-[2-[2-(4-cyclopropyl-2-methylbutoxy)ethoxy]propoxy]propan-2-amine
SMILESCC(N)COCC(C)OCCOCC(C)CCC1CC1
InChIInChI=1S/C16H33NO3/c1-13(4-5-16-6-7-16)10-18-8-9-20-15(3)12-19-11-14(2)17/h13-16H,4-12,17H2,1-3H3
InChIKeyHJMSLICRJXIFFG-UHFFFAOYSA-N
XLogP2.60
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.44
LogP ≤ 52.60
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-[2-[1-(2-aminopropoxy)propan-2-yloxy]ethoxy]propan-2-amine;methane;yttrium
CID 159748487
6-[2-[2-(2-aminopropoxy)ethoxy]propoxy]-5-methyl-1-(3-trihydroxysilylpropoxy)hexan-2-ol
CID 165048221
1-(2-cyclopropylethoxy)propan-2-amine
CID 106200486
2-[2-[2-(2-aminopropoxy)propoxy]ethoxy]propan-1-amine
CID 58898571
1-[2-(1-aminoethoxy)ethoxy]propan-2-amine
CID 153419048
3-(2-cyclopropylethoxy)-2-methylpropan-1-amine
CID 106203362
1-[1-[2-[1-(2-aminopropoxy)propan-2-yloxy]ethoxy]propan-2-ylamino]propan-2-ol
CID 59847764
(2R)-4-cyclopropylbutan-2-amine
CID 95367313
1-[4-[2-(2-aminopropoxy)propoxy]butoxy]propan-2-amine;azane;methane;yttrium
CID 159274573
3-methylpentylcyclopropane
CID 56979389
6-[(2S)-2-methylbutoxy]hexylcyclopropane
CID 167130776
1-[2-[1-[2-[2-[1-(2-aminopropoxy)propan-2-yloxy]propoxy]propoxy]propan-2-yloxy]propoxy]propan-2-amine
CID 129028378

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(4-cyclopropyl-2-methylbutoxy)ethoxy]propoxy]propan-2-amine?
The IUPAC name of 1-[2-[2-(4-cyclopropyl-2-methylbutoxy)ethoxy]propoxy]propan-2-amine (CID 165054791) is 1-[2-[2-(4-cyclopropyl-2-methylbutoxy)ethoxy]propoxy]propan-2-amine.
What is the SMILES notation for 1-[2-[2-(4-cyclopropyl-2-methylbutoxy)ethoxy]propoxy]propan-2-amine?
The canonical SMILES for 1-[2-[2-(4-cyclopropyl-2-methylbutoxy)ethoxy]propoxy]propan-2-amine is CC(N)COCC(C)OCCOCC(C)CCC1CC1.
What is the InChIKey of 1-[2-[2-(4-cyclopropyl-2-methylbutoxy)ethoxy]propoxy]propan-2-amine?
The InChIKey is HJMSLICRJXIFFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO3/c1-13(4-5-16-6-7-16)10-18-8-9-20-15(3)12-19-11-14(2)17/h13-16H,4-12,17H2,1-3H3.
What are the key properties of 1-[2-[2-(4-cyclopropyl-2-methylbutoxy)ethoxy]propoxy]propan-2-amine?
1-[2-[2-(4-cyclopropyl-2-methylbutoxy)ethoxy]propoxy]propan-2-amine has a molecular weight of 287.44 g/mol, XLogP of 2.60, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(4-cyclopropyl-2-methylbutoxy)ethoxy]propoxy]propan-2-amine is sourced from PubChem (CID 165054791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).