11-amino-2-methylundecan-2-ol

C12H27NO — CID 15531485

IUPAC11-amino-2-methylundecan-2-ol
SMILESCC(C)(O)CCCCCCCCCN
InChIInChI=1S/C12H27NO/c1-12(2,14)10-8-6-4-3-5-7-9-11-13/h14H,3-11,13H2,1-2H3
InChIKeySCYWFPOJHDSCNZ-UHFFFAOYSA-N
MW201.35 g/mol
LogP2.84
Rot. Bonds9

About 11-amino-2-methylundecan-2-ol

11-amino-2-methylundecan-2-ol (PubChem CID 15531485) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is 11-amino-2-methylundecan-2-ol.

Molecular Properties

Compound Name11-amino-2-methylundecan-2-ol
PubChem CID15531485
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC Name11-amino-2-methylundecan-2-ol
SMILESCC(C)(O)CCCCCCCCCN
InChIInChI=1S/C12H27NO/c1-12(2,14)10-8-6-4-3-5-7-9-11-13/h14H,3-11,13H2,1-2H3
InChIKeySCYWFPOJHDSCNZ-UHFFFAOYSA-N
XLogP2.84
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.35
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 11-amino-2-methylundecan-2-ol?
The IUPAC name of 11-amino-2-methylundecan-2-ol (CID 15531485) is 11-amino-2-methylundecan-2-ol.
What is the SMILES notation for 11-amino-2-methylundecan-2-ol?
The canonical SMILES for 11-amino-2-methylundecan-2-ol is CC(C)(O)CCCCCCCCCN.
What is the InChIKey of 11-amino-2-methylundecan-2-ol?
The InChIKey is SCYWFPOJHDSCNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO/c1-12(2,14)10-8-6-4-3-5-7-9-11-13/h14H,3-11,13H2,1-2H3.
What are the key properties of 11-amino-2-methylundecan-2-ol?
11-amino-2-methylundecan-2-ol has a molecular weight of 201.35 g/mol, XLogP of 2.84, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-amino-2-methylundecan-2-ol is sourced from PubChem (CID 15531485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).