3-(methylamino)-1-(2,3,5-trimethylhexan-2-yloxy)butan-2-ol

C14H31NO2 — CID 123789565

IUPAC3-(methylamino)-1-(2,3,5-trimethylhexan-2-yloxy)butan-2-ol
SMILESCNC(C)C(O)COC(C)(C)C(C)CC(C)C
InChIInChI=1S/C14H31NO2/c1-10(2)8-11(3)14(5,6)17-9-13(16)12(4)15-7/h10-13,15-16H,8-9H2,1-7H3
InChIKeyAWFXPVUTHWQSRL-UHFFFAOYSA-N
MW245.41 g/mol
LogP2.43
Rot. Bonds8

About 3-(methylamino)-1-(2,3,5-trimethylhexan-2-yloxy)butan-2-ol

3-(methylamino)-1-(2,3,5-trimethylhexan-2-yloxy)butan-2-ol (PubChem CID 123789565) has the molecular formula C14H31NO2 and a molecular weight of 245.41 g/mol. Its IUPAC name is 3-(methylamino)-1-(2,3,5-trimethylhexan-2-yloxy)butan-2-ol.

Molecular Properties

Compound Name3-(methylamino)-1-(2,3,5-trimethylhexan-2-yloxy)butan-2-ol
PubChem CID123789565
Molecular FormulaC14H31NO2
Molecular Weight245.41 g/mol
Exact Mass245.24
IUPAC Name3-(methylamino)-1-(2,3,5-trimethylhexan-2-yloxy)butan-2-ol
SMILESCNC(C)C(O)COC(C)(C)C(C)CC(C)C
InChIInChI=1S/C14H31NO2/c1-10(2)8-11(3)14(5,6)17-9-13(16)12(4)15-7/h10-13,15-16H,8-9H2,1-7H3
InChIKeyAWFXPVUTHWQSRL-UHFFFAOYSA-N
XLogP2.43
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-1-(2,3,5-trimethylhexan-2-yloxy)butan-2-ol?
The IUPAC name of 3-(methylamino)-1-(2,3,5-trimethylhexan-2-yloxy)butan-2-ol (CID 123789565) is 3-(methylamino)-1-(2,3,5-trimethylhexan-2-yloxy)butan-2-ol.
What is the SMILES notation for 3-(methylamino)-1-(2,3,5-trimethylhexan-2-yloxy)butan-2-ol?
The canonical SMILES for 3-(methylamino)-1-(2,3,5-trimethylhexan-2-yloxy)butan-2-ol is CNC(C)C(O)COC(C)(C)C(C)CC(C)C.
What is the InChIKey of 3-(methylamino)-1-(2,3,5-trimethylhexan-2-yloxy)butan-2-ol?
The InChIKey is AWFXPVUTHWQSRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO2/c1-10(2)8-11(3)14(5,6)17-9-13(16)12(4)15-7/h10-13,15-16H,8-9H2,1-7H3.
What are the key properties of 3-(methylamino)-1-(2,3,5-trimethylhexan-2-yloxy)butan-2-ol?
3-(methylamino)-1-(2,3,5-trimethylhexan-2-yloxy)butan-2-ol has a molecular weight of 245.41 g/mol, XLogP of 2.43, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-1-(2,3,5-trimethylhexan-2-yloxy)butan-2-ol is sourced from PubChem (CID 123789565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).