2,2,5,5-tetramethyl-N-[3-(2-methylpropoxy)propyl]oxolan-3-amine

C15H31NO2 — CID 79917065

IUPAC2,2,5,5-tetramethyl-N-[3-(2-methylpropoxy)propyl]oxolan-3-amine
SMILESCC(C)COCCCNC1CC(C)(C)OC1(C)C
InChIInChI=1S/C15H31NO2/c1-12(2)11-17-9-7-8-16-13-10-14(3,4)18-15(13,5)6/h12-13,16H,7-11H2,1-6H3
InChIKeyUKMCPZKBKSTURS-UHFFFAOYSA-N
MW257.42 g/mol
LogP2.98
Rot. Bonds7

About 2,2,5,5-tetramethyl-N-[3-(2-methylpropoxy)propyl]oxolan-3-amine

2,2,5,5-tetramethyl-N-[3-(2-methylpropoxy)propyl]oxolan-3-amine (PubChem CID 79917065) has the molecular formula C15H31NO2 and a molecular weight of 257.42 g/mol. Its IUPAC name is 2,2,5,5-tetramethyl-N-[3-(2-methylpropoxy)propyl]oxolan-3-amine.

Molecular Properties

Compound Name2,2,5,5-tetramethyl-N-[3-(2-methylpropoxy)propyl]oxolan-3-amine
PubChem CID79917065
Molecular FormulaC15H31NO2
Molecular Weight257.42 g/mol
Exact Mass257.24
IUPAC Name2,2,5,5-tetramethyl-N-[3-(2-methylpropoxy)propyl]oxolan-3-amine
SMILESCC(C)COCCCNC1CC(C)(C)OC1(C)C
InChIInChI=1S/C15H31NO2/c1-12(2)11-17-9-7-8-16-13-10-14(3,4)18-15(13,5)6/h12-13,16H,7-11H2,1-6H3
InChIKeyUKMCPZKBKSTURS-UHFFFAOYSA-N
XLogP2.98
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 52.98
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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Frequently Asked Questions

What is the IUPAC name of 2,2,5,5-tetramethyl-N-[3-(2-methylpropoxy)propyl]oxolan-3-amine?
The IUPAC name of 2,2,5,5-tetramethyl-N-[3-(2-methylpropoxy)propyl]oxolan-3-amine (CID 79917065) is 2,2,5,5-tetramethyl-N-[3-(2-methylpropoxy)propyl]oxolan-3-amine.
What is the SMILES notation for 2,2,5,5-tetramethyl-N-[3-(2-methylpropoxy)propyl]oxolan-3-amine?
The canonical SMILES for 2,2,5,5-tetramethyl-N-[3-(2-methylpropoxy)propyl]oxolan-3-amine is CC(C)COCCCNC1CC(C)(C)OC1(C)C.
What is the InChIKey of 2,2,5,5-tetramethyl-N-[3-(2-methylpropoxy)propyl]oxolan-3-amine?
The InChIKey is UKMCPZKBKSTURS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2/c1-12(2)11-17-9-7-8-16-13-10-14(3,4)18-15(13,5)6/h12-13,16H,7-11H2,1-6H3.
What are the key properties of 2,2,5,5-tetramethyl-N-[3-(2-methylpropoxy)propyl]oxolan-3-amine?
2,2,5,5-tetramethyl-N-[3-(2-methylpropoxy)propyl]oxolan-3-amine has a molecular weight of 257.42 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5,5-tetramethyl-N-[3-(2-methylpropoxy)propyl]oxolan-3-amine is sourced from PubChem (CID 79917065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).