12-amino-2,6,10-trimethyldodeca-8,10-dien-2-ol

C15H29NO — CID 73412561

IUPAC12-amino-2,6,10-trimethyldodeca-8,10-dien-2-ol
SMILESCC(C=CCC(C)CCCC(C)(C)O)=CCN
InChIInChI=1S/C15H29NO/c1-13(9-6-11-15(3,4)17)7-5-8-14(2)10-12-16/h5,8,10,13,17H,6-7,9,11-12,16H2,1-4H3
InChIKeyZRGIMGGJLWRBSQ-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.41
Rot. Bonds8

About 12-amino-2,6,10-trimethyldodeca-8,10-dien-2-ol

12-amino-2,6,10-trimethyldodeca-8,10-dien-2-ol (PubChem CID 73412561) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 12-amino-2,6,10-trimethyldodeca-8,10-dien-2-ol.

Molecular Properties

Compound Name12-amino-2,6,10-trimethyldodeca-8,10-dien-2-ol
PubChem CID73412561
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name12-amino-2,6,10-trimethyldodeca-8,10-dien-2-ol
SMILESCC(C=CCC(C)CCCC(C)(C)O)=CCN
InChIInChI=1S/C15H29NO/c1-13(9-6-11-15(3,4)17)7-5-8-14(2)10-12-16/h5,8,10,13,17H,6-7,9,11-12,16H2,1-4H3
InChIKeyZRGIMGGJLWRBSQ-UHFFFAOYSA-N
XLogP3.41
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 12-amino-2,6,10-trimethyldodeca-8,10-dien-2-ol?
The IUPAC name of 12-amino-2,6,10-trimethyldodeca-8,10-dien-2-ol (CID 73412561) is 12-amino-2,6,10-trimethyldodeca-8,10-dien-2-ol.
What is the SMILES notation for 12-amino-2,6,10-trimethyldodeca-8,10-dien-2-ol?
The canonical SMILES for 12-amino-2,6,10-trimethyldodeca-8,10-dien-2-ol is CC(C=CCC(C)CCCC(C)(C)O)=CCN.
What is the InChIKey of 12-amino-2,6,10-trimethyldodeca-8,10-dien-2-ol?
The InChIKey is ZRGIMGGJLWRBSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-13(9-6-11-15(3,4)17)7-5-8-14(2)10-12-16/h5,8,10,13,17H,6-7,9,11-12,16H2,1-4H3.
What are the key properties of 12-amino-2,6,10-trimethyldodeca-8,10-dien-2-ol?
12-amino-2,6,10-trimethyldodeca-8,10-dien-2-ol has a molecular weight of 239.40 g/mol, XLogP of 3.41, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12-amino-2,6,10-trimethyldodeca-8,10-dien-2-ol is sourced from PubChem (CID 73412561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).