10-amino-4,4-dimethyldec-2-en-5-ol

C12H25NO — CID 170225105

IUPAC10-amino-4,4-dimethyldec-2-en-5-ol
SMILESCC=CC(C)(C)C(O)CCCCCN
InChIInChI=1S/C12H25NO/c1-4-9-12(2,3)11(14)8-6-5-7-10-13/h4,9,11,14H,5-8,10,13H2,1-3H3
InChIKeyPULMNGXXRTYRMY-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.47
Rot. Bonds7

About 10-amino-4,4-dimethyldec-2-en-5-ol

10-amino-4,4-dimethyldec-2-en-5-ol (PubChem CID 170225105) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 10-amino-4,4-dimethyldec-2-en-5-ol.

Molecular Properties

Compound Name10-amino-4,4-dimethyldec-2-en-5-ol
PubChem CID170225105
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name10-amino-4,4-dimethyldec-2-en-5-ol
SMILESCC=CC(C)(C)C(O)CCCCCN
InChIInChI=1S/C12H25NO/c1-4-9-12(2,3)11(14)8-6-5-7-10-13/h4,9,11,14H,5-8,10,13H2,1-3H3
InChIKeyPULMNGXXRTYRMY-UHFFFAOYSA-N
XLogP2.47
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 10-amino-4,4-dimethyldec-2-en-5-ol?
The IUPAC name of 10-amino-4,4-dimethyldec-2-en-5-ol (CID 170225105) is 10-amino-4,4-dimethyldec-2-en-5-ol.
What is the SMILES notation for 10-amino-4,4-dimethyldec-2-en-5-ol?
The canonical SMILES for 10-amino-4,4-dimethyldec-2-en-5-ol is CC=CC(C)(C)C(O)CCCCCN.
What is the InChIKey of 10-amino-4,4-dimethyldec-2-en-5-ol?
The InChIKey is PULMNGXXRTYRMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-4-9-12(2,3)11(14)8-6-5-7-10-13/h4,9,11,14H,5-8,10,13H2,1-3H3.
What are the key properties of 10-amino-4,4-dimethyldec-2-en-5-ol?
10-amino-4,4-dimethyldec-2-en-5-ol has a molecular weight of 199.34 g/mol, XLogP of 2.47, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-amino-4,4-dimethyldec-2-en-5-ol is sourced from PubChem (CID 170225105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).