3-(1-amino-2,5-dimethylhexan-2-yl)oxypropan-1-ol

C11H25NO2 — CID 103377323

IUPAC3-(1-amino-2,5-dimethylhexan-2-yl)oxypropan-1-ol
SMILESCC(C)CCC(C)(CN)OCCCO
InChIInChI=1S/C11H25NO2/c1-10(2)5-6-11(3,9-12)14-8-4-7-13/h10,13H,4-9,12H2,1-3H3
InChIKeyDUJWWLNFDFKUHN-UHFFFAOYSA-N
MW203.33 g/mol
LogP1.54
Rot. Bonds8

About 3-(1-amino-2,5-dimethylhexan-2-yl)oxypropan-1-ol

3-(1-amino-2,5-dimethylhexan-2-yl)oxypropan-1-ol (PubChem CID 103377323) has the molecular formula C11H25NO2 and a molecular weight of 203.33 g/mol. Its IUPAC name is 3-(1-amino-2,5-dimethylhexan-2-yl)oxypropan-1-ol.

Molecular Properties

Compound Name3-(1-amino-2,5-dimethylhexan-2-yl)oxypropan-1-ol
PubChem CID103377323
Molecular FormulaC11H25NO2
Molecular Weight203.33 g/mol
Exact Mass203.19
IUPAC Name3-(1-amino-2,5-dimethylhexan-2-yl)oxypropan-1-ol
SMILESCC(C)CCC(C)(CN)OCCCO
InChIInChI=1S/C11H25NO2/c1-10(2)5-6-11(3,9-12)14-8-4-7-13/h10,13H,4-9,12H2,1-3H3
InChIKeyDUJWWLNFDFKUHN-UHFFFAOYSA-N
XLogP1.54
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(1-amino-2,5-dimethylhexan-2-yl)oxypropan-1-ol?
The IUPAC name of 3-(1-amino-2,5-dimethylhexan-2-yl)oxypropan-1-ol (CID 103377323) is 3-(1-amino-2,5-dimethylhexan-2-yl)oxypropan-1-ol.
What is the SMILES notation for 3-(1-amino-2,5-dimethylhexan-2-yl)oxypropan-1-ol?
The canonical SMILES for 3-(1-amino-2,5-dimethylhexan-2-yl)oxypropan-1-ol is CC(C)CCC(C)(CN)OCCCO.
What is the InChIKey of 3-(1-amino-2,5-dimethylhexan-2-yl)oxypropan-1-ol?
The InChIKey is DUJWWLNFDFKUHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO2/c1-10(2)5-6-11(3,9-12)14-8-4-7-13/h10,13H,4-9,12H2,1-3H3.
What are the key properties of 3-(1-amino-2,5-dimethylhexan-2-yl)oxypropan-1-ol?
3-(1-amino-2,5-dimethylhexan-2-yl)oxypropan-1-ol has a molecular weight of 203.33 g/mol, XLogP of 1.54, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-amino-2,5-dimethylhexan-2-yl)oxypropan-1-ol is sourced from PubChem (CID 103377323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).