5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-N-propan-2-ylpentan-1-amine

C14H31NO2 — CID 112590039

IUPAC5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-N-propan-2-ylpentan-1-amine
SMILESCC(C)NCCCCCOCCOC(C)(C)C
InChIInChI=1S/C14H31NO2/c1-13(2)15-9-7-6-8-10-16-11-12-17-14(3,4)5/h13,15H,6-12H2,1-5H3
InChIKeyLSURFMHTJORBPI-UHFFFAOYSA-N
MW245.41 g/mol
LogP2.99
Rot. Bonds10

About 5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-N-propan-2-ylpentan-1-amine

5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-N-propan-2-ylpentan-1-amine (PubChem CID 112590039) has the molecular formula C14H31NO2 and a molecular weight of 245.41 g/mol. Its IUPAC name is 5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-N-propan-2-ylpentan-1-amine.

Molecular Properties

Compound Name5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-N-propan-2-ylpentan-1-amine
PubChem CID112590039
Molecular FormulaC14H31NO2
Molecular Weight245.41 g/mol
Exact Mass245.24
IUPAC Name5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-N-propan-2-ylpentan-1-amine
SMILESCC(C)NCCCCCOCCOC(C)(C)C
InChIInChI=1S/C14H31NO2/c1-13(2)15-9-7-6-8-10-16-11-12-17-14(3,4)5/h13,15H,6-12H2,1-5H3
InChIKeyLSURFMHTJORBPI-UHFFFAOYSA-N
XLogP2.99
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 52.99
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

5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-propan-2-ylpentan-1-amine
CID 104566618
4-[2-(2-ethoxyethoxy)ethoxy]-N-propan-2-ylbutan-1-amine
CID 146693023
N-ethyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]hexan-1-amine
CID 112589971
5-(4-methylpentoxy)-N-propan-2-ylpentan-1-amine
CID 62457764
5-(2-cyclopropylethoxy)-N-propan-2-ylpentan-1-amine
CID 106205729
4-pentoxy-N-propan-2-ylbutan-1-amine
CID 62449715
1-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]hexane
CID 164583744
3-[4-[(2-methylpropan-2-yl)oxy]butoxy]-N-[2-(propan-2-ylamino)ethyl]propanamide
CID 163926575
N-[2-(2-octoxyethoxy)ethyl]propan-2-amine
CID 156795483
2-methyl-N-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propyl]propan-1-amine
CID 112587455
N-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-1-amine
CID 112587414
2-methyl-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propane
CID 134597159

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-N-propan-2-ylpentan-1-amine?
The IUPAC name of 5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-N-propan-2-ylpentan-1-amine (CID 112590039) is 5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-N-propan-2-ylpentan-1-amine.
What is the SMILES notation for 5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-N-propan-2-ylpentan-1-amine?
The canonical SMILES for 5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-N-propan-2-ylpentan-1-amine is CC(C)NCCCCCOCCOC(C)(C)C.
What is the InChIKey of 5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-N-propan-2-ylpentan-1-amine?
The InChIKey is LSURFMHTJORBPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO2/c1-13(2)15-9-7-6-8-10-16-11-12-17-14(3,4)5/h13,15H,6-12H2,1-5H3.
What are the key properties of 5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-N-propan-2-ylpentan-1-amine?
5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-N-propan-2-ylpentan-1-amine has a molecular weight of 245.41 g/mol, XLogP of 2.99, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-N-propan-2-ylpentan-1-amine is sourced from PubChem (CID 112590039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).