2-amino-3,3-dimethylicosan-2-ol

C22H47NO — CID 18539595

IUPAC2-amino-3,3-dimethylicosan-2-ol
SMILESCCCCCCCCCCCCCCCCCC(C)(C)C(C)(N)O
InChIInChI=1S/C22H47NO/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(2,3)22(4,23)24/h24H,5-20,23H2,1-4H3
InChIKeyGOAVAYCAWHWILU-UHFFFAOYSA-N
MW341.62 g/mol
LogP6.94
Rot. Bonds17

About 2-amino-3,3-dimethylicosan-2-ol

2-amino-3,3-dimethylicosan-2-ol (PubChem CID 18539595) has the molecular formula C22H47NO and a molecular weight of 341.62 g/mol. Its IUPAC name is 2-amino-3,3-dimethylicosan-2-ol.

Molecular Properties

Compound Name2-amino-3,3-dimethylicosan-2-ol
PubChem CID18539595
Molecular FormulaC22H47NO
Molecular Weight341.62 g/mol
Exact Mass341.37
IUPAC Name2-amino-3,3-dimethylicosan-2-ol
SMILESCCCCCCCCCCCCCCCCCC(C)(C)C(C)(N)O
InChIInChI=1S/C22H47NO/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(2,3)22(4,23)24/h24H,5-20,23H2,1-4H3
InChIKeyGOAVAYCAWHWILU-UHFFFAOYSA-N
XLogP6.94
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.62
LogP ≤ 56.94
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 175034140
2,3,3-trimethylnonan-2-ol
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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
13-methylheptacosan-13-ol
CID 87343529
2-methyldodecan-2-ol
CID 547702
2-methylpentadecan-2-amine;hydroiodide
CID 175554566
2-methylheptadecan-2-amine;dihydrobromide
CID 175361639

Frequently Asked Questions

What is the IUPAC name of 2-amino-3,3-dimethylicosan-2-ol?
The IUPAC name of 2-amino-3,3-dimethylicosan-2-ol (CID 18539595) is 2-amino-3,3-dimethylicosan-2-ol.
What is the SMILES notation for 2-amino-3,3-dimethylicosan-2-ol?
The canonical SMILES for 2-amino-3,3-dimethylicosan-2-ol is CCCCCCCCCCCCCCCCCC(C)(C)C(C)(N)O.
What is the InChIKey of 2-amino-3,3-dimethylicosan-2-ol?
The InChIKey is GOAVAYCAWHWILU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H47NO/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(2,3)22(4,23)24/h24H,5-20,23H2,1-4H3.
What are the key properties of 2-amino-3,3-dimethylicosan-2-ol?
2-amino-3,3-dimethylicosan-2-ol has a molecular weight of 341.62 g/mol, XLogP of 6.94, 17 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,3-dimethylicosan-2-ol is sourced from PubChem (CID 18539595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).