1-aminoundecane-1,1-diol

C11H25NO2 — CID 21111671

IUPAC1-aminoundecane-1,1-diol
SMILESCCCCCCCCCCC(N)(O)O
InChIInChI=1S/C11H25NO2/c1-2-3-4-5-6-7-8-9-10-11(12,13)14/h13-14H,2-10,12H2,1H3
InChIKeyDOROOYXVLBAZEJ-UHFFFAOYSA-N
MW203.33 g/mol
LogP2.11
Rot. Bonds9

About 1-aminoundecane-1,1-diol

1-aminoundecane-1,1-diol (PubChem CID 21111671) has the molecular formula C11H25NO2 and a molecular weight of 203.33 g/mol. Its IUPAC name is 1-aminoundecane-1,1-diol.

Molecular Properties

Compound Name1-aminoundecane-1,1-diol
PubChem CID21111671
Molecular FormulaC11H25NO2
Molecular Weight203.33 g/mol
Exact Mass203.19
IUPAC Name1-aminoundecane-1,1-diol
SMILESCCCCCCCCCCC(N)(O)O
InChIInChI=1S/C11H25NO2/c1-2-3-4-5-6-7-8-9-10-11(12,13)14/h13-14H,2-10,12H2,1H3
InChIKeyDOROOYXVLBAZEJ-UHFFFAOYSA-N
XLogP2.11
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

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9-amino-10-hexyl-10-octyloctadecan-9-ol
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CID 175034140
2-amino-3,3-dimethylicosan-2-ol
CID 18539595
tetracosane-6,6-diamine
CID 154005419
11-decylhenicosan-11-amine
CID 19847882
7-hexylhexadecan-7-ol
CID 141253911
nonane-1,1,1-triamine
CID 18954154
docosane-10,10-diol
CID 20528880
tritriacontane-15,15,16,16-tetrol
CID 19863089
9-octyloctadecan-9-ol
CID 150674168
7-pentylpentadecan-7-ol
CID 12913436

Frequently Asked Questions

What is the IUPAC name of 1-aminoundecane-1,1-diol?
The IUPAC name of 1-aminoundecane-1,1-diol (CID 21111671) is 1-aminoundecane-1,1-diol.
What is the SMILES notation for 1-aminoundecane-1,1-diol?
The canonical SMILES for 1-aminoundecane-1,1-diol is CCCCCCCCCCC(N)(O)O.
What is the InChIKey of 1-aminoundecane-1,1-diol?
The InChIKey is DOROOYXVLBAZEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO2/c1-2-3-4-5-6-7-8-9-10-11(12,13)14/h13-14H,2-10,12H2,1H3.
What are the key properties of 1-aminoundecane-1,1-diol?
1-aminoundecane-1,1-diol has a molecular weight of 203.33 g/mol, XLogP of 2.11, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminoundecane-1,1-diol is sourced from PubChem (CID 21111671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).