3-(1-amino-3-methylhexan-2-yl)oxypropan-1-ol

C10H23NO2 — CID 103377261

IUPAC3-(1-amino-3-methylhexan-2-yl)oxypropan-1-ol
SMILESCCCC(C)C(CN)OCCCO
InChIInChI=1S/C10H23NO2/c1-3-5-9(2)10(8-11)13-7-4-6-12/h9-10,12H,3-8,11H2,1-2H3
InChIKeyHGWHKXUPYYEQQM-UHFFFAOYSA-N
MW189.30 g/mol
LogP1.15
Rot. Bonds8

About 3-(1-amino-3-methylhexan-2-yl)oxypropan-1-ol

3-(1-amino-3-methylhexan-2-yl)oxypropan-1-ol (PubChem CID 103377261) has the molecular formula C10H23NO2 and a molecular weight of 189.30 g/mol. Its IUPAC name is 3-(1-amino-3-methylhexan-2-yl)oxypropan-1-ol.

Molecular Properties

Compound Name3-(1-amino-3-methylhexan-2-yl)oxypropan-1-ol
PubChem CID103377261
Molecular FormulaC10H23NO2
Molecular Weight189.30 g/mol
Exact Mass189.17
IUPAC Name3-(1-amino-3-methylhexan-2-yl)oxypropan-1-ol
SMILESCCCC(C)C(CN)OCCCO
InChIInChI=1S/C10H23NO2/c1-3-5-9(2)10(8-11)13-7-4-6-12/h9-10,12H,3-8,11H2,1-2H3
InChIKeyHGWHKXUPYYEQQM-UHFFFAOYSA-N
XLogP1.15
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 51.15
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-3-methylhexan-2-yl)oxypropan-1-ol?
The IUPAC name of 3-(1-amino-3-methylhexan-2-yl)oxypropan-1-ol (CID 103377261) is 3-(1-amino-3-methylhexan-2-yl)oxypropan-1-ol.
What is the SMILES notation for 3-(1-amino-3-methylhexan-2-yl)oxypropan-1-ol?
The canonical SMILES for 3-(1-amino-3-methylhexan-2-yl)oxypropan-1-ol is CCCC(C)C(CN)OCCCO.
What is the InChIKey of 3-(1-amino-3-methylhexan-2-yl)oxypropan-1-ol?
The InChIKey is HGWHKXUPYYEQQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO2/c1-3-5-9(2)10(8-11)13-7-4-6-12/h9-10,12H,3-8,11H2,1-2H3.
What are the key properties of 3-(1-amino-3-methylhexan-2-yl)oxypropan-1-ol?
3-(1-amino-3-methylhexan-2-yl)oxypropan-1-ol has a molecular weight of 189.30 g/mol, XLogP of 1.15, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-amino-3-methylhexan-2-yl)oxypropan-1-ol is sourced from PubChem (CID 103377261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).