3-amino-5-methoxyhexane-1,4-diol

C7H17NO3 — CID 142060035

IUPAC3-amino-5-methoxyhexane-1,4-diol
SMILESCOC(C)C(O)C(N)CCO
InChIInChI=1S/C7H17NO3/c1-5(11-2)7(10)6(8)3-4-9/h5-7,9-10H,3-4,8H2,1-2H3
InChIKeyPAGPLBFKFUJXLB-UHFFFAOYSA-N
MW163.22 g/mol
LogP-0.91
Rot. Bonds5

About 3-amino-5-methoxyhexane-1,4-diol

3-amino-5-methoxyhexane-1,4-diol (PubChem CID 142060035) has the molecular formula C7H17NO3 and a molecular weight of 163.22 g/mol. Its IUPAC name is 3-amino-5-methoxyhexane-1,4-diol.

Molecular Properties

Compound Name3-amino-5-methoxyhexane-1,4-diol
PubChem CID142060035
Molecular FormulaC7H17NO3
Molecular Weight163.22 g/mol
Exact Mass163.12
IUPAC Name3-amino-5-methoxyhexane-1,4-diol
SMILESCOC(C)C(O)C(N)CCO
InChIInChI=1S/C7H17NO3/c1-5(11-2)7(10)6(8)3-4-9/h5-7,9-10H,3-4,8H2,1-2H3
InChIKeyPAGPLBFKFUJXLB-UHFFFAOYSA-N
XLogP-0.91
TPSA75.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 5-0.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-aminopentane-1,4-diol
CID 23064801
5,6-dimethoxyheptane-1,3,4-triol
CID 123325898
2-amino-3-hydroxy-4-methoxypentanoic acid
CID 131223230
(2S,3S)-2,3-dimethoxybutan-1-ol
CID 130624159
2-aminopropan-1-ol;hydrofluoride
CID 22617394
(1S,2S)-2-amino-1-methoxypropane-1,3-diol
CID 174342165
3-amino-4-ethylhexan-1-ol
CID 17039430
(2R,3R,4R)-2,4,6-trihydroxy-3-methoxyhexanal
CID 131850529
ethane-1,2-diol;methoxymethanediol
CID 88839057
butane-1,3-diol
CID 159666523
1-methoxy-5-methylhexan-1-ol
CID 167712428
5-amino-4-methylpentane-1,3-diol
CID 141480720

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-methoxyhexane-1,4-diol?
The IUPAC name of 3-amino-5-methoxyhexane-1,4-diol (CID 142060035) is 3-amino-5-methoxyhexane-1,4-diol.
What is the SMILES notation for 3-amino-5-methoxyhexane-1,4-diol?
The canonical SMILES for 3-amino-5-methoxyhexane-1,4-diol is COC(C)C(O)C(N)CCO.
What is the InChIKey of 3-amino-5-methoxyhexane-1,4-diol?
The InChIKey is PAGPLBFKFUJXLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO3/c1-5(11-2)7(10)6(8)3-4-9/h5-7,9-10H,3-4,8H2,1-2H3.
What are the key properties of 3-amino-5-methoxyhexane-1,4-diol?
3-amino-5-methoxyhexane-1,4-diol has a molecular weight of 163.22 g/mol, XLogP of -0.91, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-methoxyhexane-1,4-diol is sourced from PubChem (CID 142060035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).