5-amino-1,1-dimethoxy-3,4-dimethylpentan-3-ol

C9H21NO3 — CID 79124870

IUPAC5-amino-1,1-dimethoxy-3,4-dimethylpentan-3-ol
SMILESCOC(CC(C)(O)C(C)CN)OC
InChIInChI=1S/C9H21NO3/c1-7(6-10)9(2,11)5-8(12-3)13-4/h7-8,11H,5-6,10H2,1-4H3
InChIKeyAKBIWIUJOJUABT-UHFFFAOYSA-N
MW191.27 g/mol
LogP0.34
Rot. Bonds6

About 5-amino-1,1-dimethoxy-3,4-dimethylpentan-3-ol

5-amino-1,1-dimethoxy-3,4-dimethylpentan-3-ol (PubChem CID 79124870) has the molecular formula C9H21NO3 and a molecular weight of 191.27 g/mol. Its IUPAC name is 5-amino-1,1-dimethoxy-3,4-dimethylpentan-3-ol.

Molecular Properties

Compound Name5-amino-1,1-dimethoxy-3,4-dimethylpentan-3-ol
PubChem CID79124870
Molecular FormulaC9H21NO3
Molecular Weight191.27 g/mol
Exact Mass191.15
IUPAC Name5-amino-1,1-dimethoxy-3,4-dimethylpentan-3-ol
SMILESCOC(CC(C)(O)C(C)CN)OC
InChIInChI=1S/C9H21NO3/c1-7(6-10)9(2,11)5-8(12-3)13-4/h7-8,11H,5-6,10H2,1-4H3
InChIKeyAKBIWIUJOJUABT-UHFFFAOYSA-N
XLogP0.34
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 50.34
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

4-amino-1-methoxy-2,3-dimethylbutan-2-ol
CID 79136033
3-amino-2-methylpropane-1,1,1-triol
CID 18979369
4-amino-1-methoxy-2-(methoxymethyl)-3-methylbutan-2-ol
CID 165443184
2-amino-4,4-dimethoxy-2-methylbutanamide
CID 66180029
5-amino-2,4-dimethylpentan-2-ol
CID 83681746
(4S)-5-amino-2,4-dimethylpentan-2-ol
CID 97010229
1-amino-2,3,4-trimethylhexan-3-ol
CID 79135211
methyl 3-hydroxy-2,3,5-trimethylhexanoate
CID 62393814
4,4-dimethoxy-2-methyl-2-N-(2-methylpropyl)-2-N-propan-2-ylbutane-1,2-diamine
CID 66180810
3,3-difluoro-2-methylbutan-1-amine
CID 84647801
2,3,3,4,4-pentamethylpentan-1-amine
CID 146748231
(2R)-1-amino-2,3-dimethylbutan-2-ol
CID 51684116

Frequently Asked Questions

What is the IUPAC name of 5-amino-1,1-dimethoxy-3,4-dimethylpentan-3-ol?
The IUPAC name of 5-amino-1,1-dimethoxy-3,4-dimethylpentan-3-ol (CID 79124870) is 5-amino-1,1-dimethoxy-3,4-dimethylpentan-3-ol.
What is the SMILES notation for 5-amino-1,1-dimethoxy-3,4-dimethylpentan-3-ol?
The canonical SMILES for 5-amino-1,1-dimethoxy-3,4-dimethylpentan-3-ol is COC(CC(C)(O)C(C)CN)OC.
What is the InChIKey of 5-amino-1,1-dimethoxy-3,4-dimethylpentan-3-ol?
The InChIKey is AKBIWIUJOJUABT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO3/c1-7(6-10)9(2,11)5-8(12-3)13-4/h7-8,11H,5-6,10H2,1-4H3.
What are the key properties of 5-amino-1,1-dimethoxy-3,4-dimethylpentan-3-ol?
5-amino-1,1-dimethoxy-3,4-dimethylpentan-3-ol has a molecular weight of 191.27 g/mol, XLogP of 0.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1,1-dimethoxy-3,4-dimethylpentan-3-ol is sourced from PubChem (CID 79124870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).