2,3,3-trimethyldodec-11-en-1-amine

C15H31N — CID 87480942

IUPAC2,3,3-trimethyldodec-11-en-1-amine
SMILESC=CCCCCCCCC(C)(C)C(C)CN
InChIInChI=1S/C15H31N/c1-5-6-7-8-9-10-11-12-15(3,4)14(2)13-16/h5,14H,1,6-13,16H2,2-4H3
InChIKeyCRFJTKRBAUXLLI-UHFFFAOYSA-N
MW225.42 g/mol
LogP4.52
Rot. Bonds10

About 2,3,3-trimethyldodec-11-en-1-amine

2,3,3-trimethyldodec-11-en-1-amine (PubChem CID 87480942) has the molecular formula C15H31N and a molecular weight of 225.42 g/mol. Its IUPAC name is 2,3,3-trimethyldodec-11-en-1-amine.

Molecular Properties

Compound Name2,3,3-trimethyldodec-11-en-1-amine
PubChem CID87480942
Molecular FormulaC15H31N
Molecular Weight225.42 g/mol
Exact Mass225.25
IUPAC Name2,3,3-trimethyldodec-11-en-1-amine
SMILESC=CCCCCCCCC(C)(C)C(C)CN
InChIInChI=1S/C15H31N/c1-5-6-7-8-9-10-11-12-15(3,4)14(2)13-16/h5,14H,1,6-13,16H2,2-4H3
InChIKeyCRFJTKRBAUXLLI-UHFFFAOYSA-N
XLogP4.52
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.42
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 2,3,3-trimethyldodec-11-en-1-amine?
The IUPAC name of 2,3,3-trimethyldodec-11-en-1-amine (CID 87480942) is 2,3,3-trimethyldodec-11-en-1-amine.
What is the SMILES notation for 2,3,3-trimethyldodec-11-en-1-amine?
The canonical SMILES for 2,3,3-trimethyldodec-11-en-1-amine is C=CCCCCCCCC(C)(C)C(C)CN.
What is the InChIKey of 2,3,3-trimethyldodec-11-en-1-amine?
The InChIKey is CRFJTKRBAUXLLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N/c1-5-6-7-8-9-10-11-12-15(3,4)14(2)13-16/h5,14H,1,6-13,16H2,2-4H3.
What are the key properties of 2,3,3-trimethyldodec-11-en-1-amine?
2,3,3-trimethyldodec-11-en-1-amine has a molecular weight of 225.42 g/mol, XLogP of 4.52, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3-trimethyldodec-11-en-1-amine is sourced from PubChem (CID 87480942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).