(5S)-2-amino-5,7-dimethoxyheptan-2-ol

C9H21NO3 — CID 148760665

IUPAC(5S)-2-amino-5,7-dimethoxyheptan-2-ol
SMILESCOCC[C@H](CCC(C)(N)O)OC
InChIInChI=1S/C9H21NO3/c1-9(10,11)6-4-8(13-3)5-7-12-2/h8,11H,4-7,10H2,1-3H3/t8-,9?/m0/s1
InChIKeyOGMMQZVIJKOXHI-IENPIDJESA-N
MW191.27 g/mol
LogP0.49
Rot. Bonds7

About (5S)-2-amino-5,7-dimethoxyheptan-2-ol

(5S)-2-amino-5,7-dimethoxyheptan-2-ol (PubChem CID 148760665) has the molecular formula C9H21NO3 and a molecular weight of 191.27 g/mol. Its IUPAC name is (5S)-2-amino-5,7-dimethoxyheptan-2-ol.

Molecular Properties

Compound Name(5S)-2-amino-5,7-dimethoxyheptan-2-ol
PubChem CID148760665
Molecular FormulaC9H21NO3
Molecular Weight191.27 g/mol
Exact Mass191.15
IUPAC Name(5S)-2-amino-5,7-dimethoxyheptan-2-ol
SMILESCOCC[C@H](CCC(C)(N)O)OC
InChIInChI=1S/C9H21NO3/c1-9(10,11)6-4-8(13-3)5-7-12-2/h8,11H,4-7,10H2,1-3H3/t8-,9?/m0/s1
InChIKeyOGMMQZVIJKOXHI-IENPIDJESA-N
XLogP0.49
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1,2-dimethoxy-5,5-dimethylhexane
CID 154608131
5-ethyl-1,3-dimethoxy-5-methylnonane
CID 150613222
1,5-dimethoxy-3-methylpentan-3-amine
CID 114997128
(3R)-1-methoxy-4,4-dimethylpentan-3-amine
CID 94424663
CID 20663710
CID 20663710
3-(aminomethyl)-6-methoxy-2,2-dimethylhexan-3-ol
CID 114852616
2-methoxy-N,5,5-trimethylhexan-1-amine
CID 177141375
1,5-dimethoxy-3-(2-methoxyethyl)pentan-3-ol
CID 54443930
2-amino-5-methylhexane-2,5-diol
CID 175528069
1,2,5,6-tetramethoxyhexane
CID 18679814
tert-butyl 3-hydroxy-5-methoxy-2,3-dimethylpentanoate
CID 66337989
3-ethoxy-1,5-dimethoxypentane
CID 20810650

Frequently Asked Questions

What is the IUPAC name of (5S)-2-amino-5,7-dimethoxyheptan-2-ol?
The IUPAC name of (5S)-2-amino-5,7-dimethoxyheptan-2-ol (CID 148760665) is (5S)-2-amino-5,7-dimethoxyheptan-2-ol.
What is the SMILES notation for (5S)-2-amino-5,7-dimethoxyheptan-2-ol?
The canonical SMILES for (5S)-2-amino-5,7-dimethoxyheptan-2-ol is COCC[C@H](CCC(C)(N)O)OC.
What is the InChIKey of (5S)-2-amino-5,7-dimethoxyheptan-2-ol?
The InChIKey is OGMMQZVIJKOXHI-IENPIDJESA-N. The full InChI is InChI=1S/C9H21NO3/c1-9(10,11)6-4-8(13-3)5-7-12-2/h8,11H,4-7,10H2,1-3H3/t8-,9?/m0/s1.
What are the key properties of (5S)-2-amino-5,7-dimethoxyheptan-2-ol?
(5S)-2-amino-5,7-dimethoxyheptan-2-ol has a molecular weight of 191.27 g/mol, XLogP of 0.49, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-amino-5,7-dimethoxyheptan-2-ol is sourced from PubChem (CID 148760665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).