2-amino-3,3-dimethyltridecan-2-ol

C15H33NO — CID 175034140

IUPAC2-amino-3,3-dimethyltridecan-2-ol
SMILESCCCCCCCCCCC(C)(C)C(C)(N)O
InChIInChI=1S/C15H33NO/c1-5-6-7-8-9-10-11-12-13-14(2,3)15(4,16)17/h17H,5-13,16H2,1-4H3
InChIKeyBJOLXDLNGJZLOA-UHFFFAOYSA-N
MW243.43 g/mol
LogP4.21
Rot. Bonds10

About 2-amino-3,3-dimethyltridecan-2-ol

2-amino-3,3-dimethyltridecan-2-ol (PubChem CID 175034140) has the molecular formula C15H33NO and a molecular weight of 243.43 g/mol. Its IUPAC name is 2-amino-3,3-dimethyltridecan-2-ol.

Molecular Properties

Compound Name2-amino-3,3-dimethyltridecan-2-ol
PubChem CID175034140
Molecular FormulaC15H33NO
Molecular Weight243.43 g/mol
Exact Mass243.26
IUPAC Name2-amino-3,3-dimethyltridecan-2-ol
SMILESCCCCCCCCCCC(C)(C)C(C)(N)O
InChIInChI=1S/C15H33NO/c1-5-6-7-8-9-10-11-12-13-14(2,3)15(4,16)17/h17H,5-13,16H2,1-4H3
InChIKeyBJOLXDLNGJZLOA-UHFFFAOYSA-N
XLogP4.21
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.43
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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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CID 18539595
2,3,3-trimethylnonan-2-ol
CID 149434403
3,3-dimethyloctane-2,2-diol
CID 175169414
1-aminoundecane-1,1-diol
CID 21111671
1,1-diaminooctan-1-ol
CID 20507531
2-amino-3,3-dimethylhexan-2-ol;docosanamide;hydrochloride
CID 173054970
5,5,6,6-tetramethyltridecane
CID 173349107
(Z)-2-aminoicos-11-en-2-ol
CID 87700839
2-methyldodecan-2-ol
CID 547702
13-methylheptacosan-13-ol
CID 87343529
2-methylpentacosan-2-amine;hydrochloride
CID 173079320
2-methylpentadecan-2-amine;hydroiodide
CID 175554566

Frequently Asked Questions

What is the IUPAC name of 2-amino-3,3-dimethyltridecan-2-ol?
The IUPAC name of 2-amino-3,3-dimethyltridecan-2-ol (CID 175034140) is 2-amino-3,3-dimethyltridecan-2-ol.
What is the SMILES notation for 2-amino-3,3-dimethyltridecan-2-ol?
The canonical SMILES for 2-amino-3,3-dimethyltridecan-2-ol is CCCCCCCCCCC(C)(C)C(C)(N)O.
What is the InChIKey of 2-amino-3,3-dimethyltridecan-2-ol?
The InChIKey is BJOLXDLNGJZLOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33NO/c1-5-6-7-8-9-10-11-12-13-14(2,3)15(4,16)17/h17H,5-13,16H2,1-4H3.
What are the key properties of 2-amino-3,3-dimethyltridecan-2-ol?
2-amino-3,3-dimethyltridecan-2-ol has a molecular weight of 243.43 g/mol, XLogP of 4.21, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,3-dimethyltridecan-2-ol is sourced from PubChem (CID 175034140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).