2-amino-2-butylhexane-1,1-diol

C10H23NO2 — CID 126727355

IUPAC2-amino-2-butylhexane-1,1-diol
SMILESCCCCC(N)(CCCC)C(O)O
InChIInChI=1S/C10H23NO2/c1-3-5-7-10(11,9(12)13)8-6-4-2/h9,12-13H,3-8,11H2,1-2H3
InChIKeySLOVDGLWDXIEBF-UHFFFAOYSA-N
MW189.30 g/mol
LogP1.38
Rot. Bonds7

About 2-amino-2-butylhexane-1,1-diol

2-amino-2-butylhexane-1,1-diol (PubChem CID 126727355) has the molecular formula C10H23NO2 and a molecular weight of 189.30 g/mol. Its IUPAC name is 2-amino-2-butylhexane-1,1-diol.

Molecular Properties

Compound Name2-amino-2-butylhexane-1,1-diol
PubChem CID126727355
Molecular FormulaC10H23NO2
Molecular Weight189.30 g/mol
Exact Mass189.17
IUPAC Name2-amino-2-butylhexane-1,1-diol
SMILESCCCCC(N)(CCCC)C(O)O
InChIInChI=1S/C10H23NO2/c1-3-5-7-10(11,9(12)13)8-6-4-2/h9,12-13H,3-8,11H2,1-2H3
InChIKeySLOVDGLWDXIEBF-UHFFFAOYSA-N
XLogP1.38
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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8,9-diheptylhenicosan-8-amine
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9-octyl-10-pentyloctadecan-9-amine
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2-amino-1-chloro-2-octadecylpropane-1,3-diol
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(2-amino-1-hydroxy-2-pentylheptyl)phosphonic acid
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8,9-diheptylhenicosan-8-amine;hydrochloride
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7,8-dihexylicosan-7-amine;hydrobromide
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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-butylhexane-1,1-diol?
The IUPAC name of 2-amino-2-butylhexane-1,1-diol (CID 126727355) is 2-amino-2-butylhexane-1,1-diol.
What is the SMILES notation for 2-amino-2-butylhexane-1,1-diol?
The canonical SMILES for 2-amino-2-butylhexane-1,1-diol is CCCCC(N)(CCCC)C(O)O.
What is the InChIKey of 2-amino-2-butylhexane-1,1-diol?
The InChIKey is SLOVDGLWDXIEBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO2/c1-3-5-7-10(11,9(12)13)8-6-4-2/h9,12-13H,3-8,11H2,1-2H3.
What are the key properties of 2-amino-2-butylhexane-1,1-diol?
2-amino-2-butylhexane-1,1-diol has a molecular weight of 189.30 g/mol, XLogP of 1.38, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-butylhexane-1,1-diol is sourced from PubChem (CID 126727355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).