1-[1-(2,2,5,5-tetramethylhexoxy)propan-2-yloxy]propan-2-amine

C16H35NO2 — CID 130251397

IUPAC1-[1-(2,2,5,5-tetramethylhexoxy)propan-2-yloxy]propan-2-amine
SMILESCC(N)COC(C)COCC(C)(C)CCC(C)(C)C
InChIInChI=1S/C16H35NO2/c1-13(17)10-19-14(2)11-18-12-16(6,7)9-8-15(3,4)5/h13-14H,8-12,17H2,1-7H3
InChIKeyBYUFASDRVXQFCM-UHFFFAOYSA-N
MW273.46 g/mol
LogP3.61
Rot. Bonds9

About 1-[1-(2,2,5,5-tetramethylhexoxy)propan-2-yloxy]propan-2-amine

1-[1-(2,2,5,5-tetramethylhexoxy)propan-2-yloxy]propan-2-amine (PubChem CID 130251397) has the molecular formula C16H35NO2 and a molecular weight of 273.46 g/mol. Its IUPAC name is 1-[1-(2,2,5,5-tetramethylhexoxy)propan-2-yloxy]propan-2-amine.

Molecular Properties

Compound Name1-[1-(2,2,5,5-tetramethylhexoxy)propan-2-yloxy]propan-2-amine
PubChem CID130251397
Molecular FormulaC16H35NO2
Molecular Weight273.46 g/mol
Exact Mass273.27
IUPAC Name1-[1-(2,2,5,5-tetramethylhexoxy)propan-2-yloxy]propan-2-amine
SMILESCC(N)COC(C)COCC(C)(C)CCC(C)(C)C
InChIInChI=1S/C16H35NO2/c1-13(17)10-19-14(2)11-18-12-16(6,7)9-8-15(3,4)5/h13-14H,8-12,17H2,1-7H3
InChIKeyBYUFASDRVXQFCM-UHFFFAOYSA-N
XLogP3.61
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.46
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,2,5,5-tetramethylhexoxy)propan-2-yloxy]propan-2-amine?
The IUPAC name of 1-[1-(2,2,5,5-tetramethylhexoxy)propan-2-yloxy]propan-2-amine (CID 130251397) is 1-[1-(2,2,5,5-tetramethylhexoxy)propan-2-yloxy]propan-2-amine.
What is the SMILES notation for 1-[1-(2,2,5,5-tetramethylhexoxy)propan-2-yloxy]propan-2-amine?
The canonical SMILES for 1-[1-(2,2,5,5-tetramethylhexoxy)propan-2-yloxy]propan-2-amine is CC(N)COC(C)COCC(C)(C)CCC(C)(C)C.
What is the InChIKey of 1-[1-(2,2,5,5-tetramethylhexoxy)propan-2-yloxy]propan-2-amine?
The InChIKey is BYUFASDRVXQFCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35NO2/c1-13(17)10-19-14(2)11-18-12-16(6,7)9-8-15(3,4)5/h13-14H,8-12,17H2,1-7H3.
What are the key properties of 1-[1-(2,2,5,5-tetramethylhexoxy)propan-2-yloxy]propan-2-amine?
1-[1-(2,2,5,5-tetramethylhexoxy)propan-2-yloxy]propan-2-amine has a molecular weight of 273.46 g/mol, XLogP of 3.61, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,2,5,5-tetramethylhexoxy)propan-2-yloxy]propan-2-amine is sourced from PubChem (CID 130251397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).