5-butan-2-yloxy-N-ethyl-N,3-dimethylhexan-3-amine

C14H31NO — CID 123291529

IUPAC5-butan-2-yloxy-N-ethyl-N,3-dimethylhexan-3-amine
SMILESCCC(C)OC(C)CC(C)(CC)N(C)CC
InChIInChI=1S/C14H31NO/c1-8-12(4)16-13(5)11-14(6,9-2)15(7)10-3/h12-13H,8-11H2,1-7H3
InChIKeyVSPXRFTXQGYRJS-UHFFFAOYSA-N
MW229.41 g/mol
LogP3.70
Rot. Bonds8

About 5-butan-2-yloxy-N-ethyl-N,3-dimethylhexan-3-amine

5-butan-2-yloxy-N-ethyl-N,3-dimethylhexan-3-amine (PubChem CID 123291529) has the molecular formula C14H31NO and a molecular weight of 229.41 g/mol. Its IUPAC name is 5-butan-2-yloxy-N-ethyl-N,3-dimethylhexan-3-amine.

Molecular Properties

Compound Name5-butan-2-yloxy-N-ethyl-N,3-dimethylhexan-3-amine
PubChem CID123291529
Molecular FormulaC14H31NO
Molecular Weight229.41 g/mol
Exact Mass229.24
IUPAC Name5-butan-2-yloxy-N-ethyl-N,3-dimethylhexan-3-amine
SMILESCCC(C)OC(C)CC(C)(CC)N(C)CC
InChIInChI=1S/C14H31NO/c1-8-12(4)16-13(5)11-14(6,9-2)15(7)10-3/h12-13H,8-11H2,1-7H3
InChIKeyVSPXRFTXQGYRJS-UHFFFAOYSA-N
XLogP3.70
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.41
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yloxy-N-ethyl-N,3-dimethylhexan-3-amine?
The IUPAC name of 5-butan-2-yloxy-N-ethyl-N,3-dimethylhexan-3-amine (CID 123291529) is 5-butan-2-yloxy-N-ethyl-N,3-dimethylhexan-3-amine.
What is the SMILES notation for 5-butan-2-yloxy-N-ethyl-N,3-dimethylhexan-3-amine?
The canonical SMILES for 5-butan-2-yloxy-N-ethyl-N,3-dimethylhexan-3-amine is CCC(C)OC(C)CC(C)(CC)N(C)CC.
What is the InChIKey of 5-butan-2-yloxy-N-ethyl-N,3-dimethylhexan-3-amine?
The InChIKey is VSPXRFTXQGYRJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO/c1-8-12(4)16-13(5)11-14(6,9-2)15(7)10-3/h12-13H,8-11H2,1-7H3.
What are the key properties of 5-butan-2-yloxy-N-ethyl-N,3-dimethylhexan-3-amine?
5-butan-2-yloxy-N-ethyl-N,3-dimethylhexan-3-amine has a molecular weight of 229.41 g/mol, XLogP of 3.70, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yloxy-N-ethyl-N,3-dimethylhexan-3-amine is sourced from PubChem (CID 123291529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).