(5S)-3-methoxy-N-methyl-5-propan-2-yloxyhexan-1-amine

C11H25NO2 — CID 177010188

IUPAC(5S)-3-methoxy-N-methyl-5-propan-2-yloxyhexan-1-amine
SMILESCNCCC(C[C@H](C)OC(C)C)OC
InChIInChI=1S/C11H25NO2/c1-9(2)14-10(3)8-11(13-5)6-7-12-4/h9-12H,6-8H2,1-5H3/t10-,11?/m0/s1
InChIKeyBALSQCYTOBWYGP-VUWPPUDQSA-N
MW203.33 g/mol
LogP1.81
Rot. Bonds8

About (5S)-3-methoxy-N-methyl-5-propan-2-yloxyhexan-1-amine

(5S)-3-methoxy-N-methyl-5-propan-2-yloxyhexan-1-amine (PubChem CID 177010188) has the molecular formula C11H25NO2 and a molecular weight of 203.33 g/mol. Its IUPAC name is (5S)-3-methoxy-N-methyl-5-propan-2-yloxyhexan-1-amine.

Molecular Properties

Compound Name(5S)-3-methoxy-N-methyl-5-propan-2-yloxyhexan-1-amine
PubChem CID177010188
Molecular FormulaC11H25NO2
Molecular Weight203.33 g/mol
Exact Mass203.19
IUPAC Name(5S)-3-methoxy-N-methyl-5-propan-2-yloxyhexan-1-amine
SMILESCNCCC(C[C@H](C)OC(C)C)OC
InChIInChI=1S/C11H25NO2/c1-9(2)14-10(3)8-11(13-5)6-7-12-4/h9-12H,6-8H2,1-5H3/t10-,11?/m0/s1
InChIKeyBALSQCYTOBWYGP-VUWPPUDQSA-N
XLogP1.81
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S)-3-methoxy-N-methyl-5-propan-2-yloxyhexan-1-amine?
The IUPAC name of (5S)-3-methoxy-N-methyl-5-propan-2-yloxyhexan-1-amine (CID 177010188) is (5S)-3-methoxy-N-methyl-5-propan-2-yloxyhexan-1-amine.
What is the SMILES notation for (5S)-3-methoxy-N-methyl-5-propan-2-yloxyhexan-1-amine?
The canonical SMILES for (5S)-3-methoxy-N-methyl-5-propan-2-yloxyhexan-1-amine is CNCCC(C[C@H](C)OC(C)C)OC.
What is the InChIKey of (5S)-3-methoxy-N-methyl-5-propan-2-yloxyhexan-1-amine?
The InChIKey is BALSQCYTOBWYGP-VUWPPUDQSA-N. The full InChI is InChI=1S/C11H25NO2/c1-9(2)14-10(3)8-11(13-5)6-7-12-4/h9-12H,6-8H2,1-5H3/t10-,11?/m0/s1.
What are the key properties of (5S)-3-methoxy-N-methyl-5-propan-2-yloxyhexan-1-amine?
(5S)-3-methoxy-N-methyl-5-propan-2-yloxyhexan-1-amine has a molecular weight of 203.33 g/mol, XLogP of 1.81, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-methoxy-N-methyl-5-propan-2-yloxyhexan-1-amine is sourced from PubChem (CID 177010188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).