(2S)-2-amino-5-methoxyhexan-1-ol

C7H17NO2 — CID 58308158

IUPAC(2S)-2-amino-5-methoxyhexan-1-ol
SMILESCOC(C)CC[C@H](N)CO
InChIInChI=1S/C7H17NO2/c1-6(10-2)3-4-7(8)5-9/h6-7,9H,3-5,8H2,1-2H3/t6?,7-/m0/s1
InChIKeyCUDCDFDAUHLLIB-MLWJPKLSSA-N
MW147.22 g/mol
LogP0.12
Rot. Bonds5

About (2S)-2-amino-5-methoxyhexan-1-ol

(2S)-2-amino-5-methoxyhexan-1-ol (PubChem CID 58308158) has the molecular formula C7H17NO2 and a molecular weight of 147.22 g/mol. Its IUPAC name is (2S)-2-amino-5-methoxyhexan-1-ol.

Molecular Properties

Compound Name(2S)-2-amino-5-methoxyhexan-1-ol
PubChem CID58308158
Molecular FormulaC7H17NO2
Molecular Weight147.22 g/mol
Exact Mass147.13
IUPAC Name(2S)-2-amino-5-methoxyhexan-1-ol
SMILESCOC(C)CC[C@H](N)CO
InChIInChI=1S/C7H17NO2/c1-6(10-2)3-4-7(8)5-9/h6-7,9H,3-5,8H2,1-2H3/t6?,7-/m0/s1
InChIKeyCUDCDFDAUHLLIB-MLWJPKLSSA-N
XLogP0.12
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-5-methoxyhexan-1-ol?
The IUPAC name of (2S)-2-amino-5-methoxyhexan-1-ol (CID 58308158) is (2S)-2-amino-5-methoxyhexan-1-ol.
What is the SMILES notation for (2S)-2-amino-5-methoxyhexan-1-ol?
The canonical SMILES for (2S)-2-amino-5-methoxyhexan-1-ol is COC(C)CC[C@H](N)CO.
What is the InChIKey of (2S)-2-amino-5-methoxyhexan-1-ol?
The InChIKey is CUDCDFDAUHLLIB-MLWJPKLSSA-N. The full InChI is InChI=1S/C7H17NO2/c1-6(10-2)3-4-7(8)5-9/h6-7,9H,3-5,8H2,1-2H3/t6?,7-/m0/s1.
What are the key properties of (2S)-2-amino-5-methoxyhexan-1-ol?
(2S)-2-amino-5-methoxyhexan-1-ol has a molecular weight of 147.22 g/mol, XLogP of 0.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-5-methoxyhexan-1-ol is sourced from PubChem (CID 58308158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).