1-amino-2-methyldodecan-2-ol

C13H29NO — CID 66039832

IUPAC1-amino-2-methyldodecan-2-ol
SMILESCCCCCCCCCCC(C)(O)CN
InChIInChI=1S/C13H29NO/c1-3-4-5-6-7-8-9-10-11-13(2,15)12-14/h15H,3-12,14H2,1-2H3
InChIKeySBAAQAODABMFFK-UHFFFAOYSA-N
MW215.38 g/mol
LogP3.23
Rot. Bonds10

About 1-amino-2-methyldodecan-2-ol

1-amino-2-methyldodecan-2-ol (PubChem CID 66039832) has the molecular formula C13H29NO and a molecular weight of 215.38 g/mol. Its IUPAC name is 1-amino-2-methyldodecan-2-ol.

Molecular Properties

Compound Name1-amino-2-methyldodecan-2-ol
PubChem CID66039832
Molecular FormulaC13H29NO
Molecular Weight215.38 g/mol
Exact Mass215.22
IUPAC Name1-amino-2-methyldodecan-2-ol
SMILESCCCCCCCCCCC(C)(O)CN
InChIInChI=1S/C13H29NO/c1-3-4-5-6-7-8-9-10-11-13(2,15)12-14/h15H,3-12,14H2,1-2H3
InChIKeySBAAQAODABMFFK-UHFFFAOYSA-N
XLogP3.23
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 53.23
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 1-amino-2-methyldodecan-2-ol?
The IUPAC name of 1-amino-2-methyldodecan-2-ol (CID 66039832) is 1-amino-2-methyldodecan-2-ol.
What is the SMILES notation for 1-amino-2-methyldodecan-2-ol?
The canonical SMILES for 1-amino-2-methyldodecan-2-ol is CCCCCCCCCCC(C)(O)CN.
What is the InChIKey of 1-amino-2-methyldodecan-2-ol?
The InChIKey is SBAAQAODABMFFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO/c1-3-4-5-6-7-8-9-10-11-13(2,15)12-14/h15H,3-12,14H2,1-2H3.
What are the key properties of 1-amino-2-methyldodecan-2-ol?
1-amino-2-methyldodecan-2-ol has a molecular weight of 215.38 g/mol, XLogP of 3.23, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-methyldodecan-2-ol is sourced from PubChem (CID 66039832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).