3-amino-2-(3-methoxypropoxy)-4,4-dimethylpentan-1-ol

C11H25NO3 — CID 114358200

IUPAC3-amino-2-(3-methoxypropoxy)-4,4-dimethylpentan-1-ol
SMILESCOCCCOC(CO)C(N)C(C)(C)C
InChIInChI=1S/C11H25NO3/c1-11(2,3)10(12)9(8-13)15-7-5-6-14-4/h9-10,13H,5-8,12H2,1-4H3
InChIKeyGABIECCYDBGNIU-UHFFFAOYSA-N
MW219.32 g/mol
LogP0.77
Rot. Bonds7

About 3-amino-2-(3-methoxypropoxy)-4,4-dimethylpentan-1-ol

3-amino-2-(3-methoxypropoxy)-4,4-dimethylpentan-1-ol (PubChem CID 114358200) has the molecular formula C11H25NO3 and a molecular weight of 219.32 g/mol. Its IUPAC name is 3-amino-2-(3-methoxypropoxy)-4,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name3-amino-2-(3-methoxypropoxy)-4,4-dimethylpentan-1-ol
PubChem CID114358200
Molecular FormulaC11H25NO3
Molecular Weight219.32 g/mol
Exact Mass219.18
IUPAC Name3-amino-2-(3-methoxypropoxy)-4,4-dimethylpentan-1-ol
SMILESCOCCCOC(CO)C(N)C(C)(C)C
InChIInChI=1S/C11H25NO3/c1-11(2,3)10(12)9(8-13)15-7-5-6-14-4/h9-10,13H,5-8,12H2,1-4H3
InChIKeyGABIECCYDBGNIU-UHFFFAOYSA-N
XLogP0.77
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.32
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-amino-4,4-dimethyl-2-(3-methylbutoxy)pentan-1-ol
CID 114358012
3-amino-4,4-dimethyl-2-[2-(2-methylpropoxy)ethoxy]pentan-1-ol
CID 106447308
3-amino-2-[3-methoxypropyl(methyl)amino]-4,4-dimethylpentan-1-ol
CID 114357181
3-amino-2-(3,3-dimethylbutoxy)-4-methoxybutan-1-ol
CID 114358317
2-amino-4-(3-methoxypropoxy)-2-methylpentan-1-ol
CID 64810813
3-amino-2-hexoxy-4-methoxybutan-1-ol
CID 114358118
3-amino-2-(3,5-dimethoxyphenoxy)-4,4-dimethylpentan-1-ol
CID 114358190
3-amino-4-methyl-2-pentoxypentan-1-ol
CID 114358183
3-amino-4-methoxy-2-[2-(2-methoxyethoxy)ethoxy]butan-1-ol
CID 114358390
3-amino-2-[(2-fluorophenyl)methoxy]-4,4-dimethylpentan-1-ol
CID 114358290
7-methoxy-2,2-dimethylheptan-3-amine
CID 60926793
2-(3-methoxypropoxy)ethyl (2S)-2-amino-3,3-dimethylbutanoate
CID 103178228

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(3-methoxypropoxy)-4,4-dimethylpentan-1-ol?
The IUPAC name of 3-amino-2-(3-methoxypropoxy)-4,4-dimethylpentan-1-ol (CID 114358200) is 3-amino-2-(3-methoxypropoxy)-4,4-dimethylpentan-1-ol.
What is the SMILES notation for 3-amino-2-(3-methoxypropoxy)-4,4-dimethylpentan-1-ol?
The canonical SMILES for 3-amino-2-(3-methoxypropoxy)-4,4-dimethylpentan-1-ol is COCCCOC(CO)C(N)C(C)(C)C.
What is the InChIKey of 3-amino-2-(3-methoxypropoxy)-4,4-dimethylpentan-1-ol?
The InChIKey is GABIECCYDBGNIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO3/c1-11(2,3)10(12)9(8-13)15-7-5-6-14-4/h9-10,13H,5-8,12H2,1-4H3.
What are the key properties of 3-amino-2-(3-methoxypropoxy)-4,4-dimethylpentan-1-ol?
3-amino-2-(3-methoxypropoxy)-4,4-dimethylpentan-1-ol has a molecular weight of 219.32 g/mol, XLogP of 0.77, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(3-methoxypropoxy)-4,4-dimethylpentan-1-ol is sourced from PubChem (CID 114358200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).