5-(1,1-dimethoxypropan-2-ylamino)-2-methylpentan-1-ol

C11H25NO3 — CID 106158376

IUPAC5-(1,1-dimethoxypropan-2-ylamino)-2-methylpentan-1-ol
SMILESCOC(OC)C(C)NCCCC(C)CO
InChIInChI=1S/C11H25NO3/c1-9(8-13)6-5-7-12-10(2)11(14-3)15-4/h9-13H,5-8H2,1-4H3
InChIKeyAVMXUIPFVVQPEN-UHFFFAOYSA-N
MW219.32 g/mol
LogP0.99
Rot. Bonds9

About 5-(1,1-dimethoxypropan-2-ylamino)-2-methylpentan-1-ol

5-(1,1-dimethoxypropan-2-ylamino)-2-methylpentan-1-ol (PubChem CID 106158376) has the molecular formula C11H25NO3 and a molecular weight of 219.32 g/mol. Its IUPAC name is 5-(1,1-dimethoxypropan-2-ylamino)-2-methylpentan-1-ol.

Molecular Properties

Compound Name5-(1,1-dimethoxypropan-2-ylamino)-2-methylpentan-1-ol
PubChem CID106158376
Molecular FormulaC11H25NO3
Molecular Weight219.32 g/mol
Exact Mass219.18
IUPAC Name5-(1,1-dimethoxypropan-2-ylamino)-2-methylpentan-1-ol
SMILESCOC(OC)C(C)NCCCC(C)CO
InChIInChI=1S/C11H25NO3/c1-9(8-13)6-5-7-12-10(2)11(14-3)15-4/h9-13H,5-8H2,1-4H3
InChIKeyAVMXUIPFVVQPEN-UHFFFAOYSA-N
XLogP0.99
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.32
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(1,1-dimethoxypropan-2-ylamino)propoxy]ethanol
CID 106309355
5-(4-methoxybutan-2-ylamino)-2-methylpentan-1-ol
CID 103905392
6-methoxy-2-methylheptan-1-ol
CID 139725906
5-(1,1-dimethoxypropan-2-ylamino)pentanamide
CID 106234795
5-[(1-cyclopropyl-2-methoxyethyl)amino]-2-methylpentan-1-ol
CID 103905399
5-[(3-hydroxy-3-methylbutan-2-yl)amino]-2-methylpentan-1-ol
CID 106157496
2,6-dimethylheptane-1,7-diol
CID 12653721
(2R,6R)-2,6-dimethylheptane-1,7-diol
CID 10534981
2,7-dimethyloctane-1,8-diol
CID 11008425
5-(4-methoxybutylamino)-2-methylpentan-1-ol
CID 106160167
2-methyl-5-(nonan-2-ylamino)pentan-1-ol
CID 104862242
2-[(5-hydroxy-4-methylpentyl)amino]butanoic acid
CID 106158405

Frequently Asked Questions

What is the IUPAC name of 5-(1,1-dimethoxypropan-2-ylamino)-2-methylpentan-1-ol?
The IUPAC name of 5-(1,1-dimethoxypropan-2-ylamino)-2-methylpentan-1-ol (CID 106158376) is 5-(1,1-dimethoxypropan-2-ylamino)-2-methylpentan-1-ol.
What is the SMILES notation for 5-(1,1-dimethoxypropan-2-ylamino)-2-methylpentan-1-ol?
The canonical SMILES for 5-(1,1-dimethoxypropan-2-ylamino)-2-methylpentan-1-ol is COC(OC)C(C)NCCCC(C)CO.
What is the InChIKey of 5-(1,1-dimethoxypropan-2-ylamino)-2-methylpentan-1-ol?
The InChIKey is AVMXUIPFVVQPEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO3/c1-9(8-13)6-5-7-12-10(2)11(14-3)15-4/h9-13H,5-8H2,1-4H3.
What are the key properties of 5-(1,1-dimethoxypropan-2-ylamino)-2-methylpentan-1-ol?
5-(1,1-dimethoxypropan-2-ylamino)-2-methylpentan-1-ol has a molecular weight of 219.32 g/mol, XLogP of 0.99, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1-dimethoxypropan-2-ylamino)-2-methylpentan-1-ol is sourced from PubChem (CID 106158376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).