2-methyldodec-11-en-3-amine

C13H27N — CID 107010454

IUPAC2-methyldodec-11-en-3-amine
SMILESC=CCCCCCCCC(N)C(C)C
InChIInChI=1S/C13H27N/c1-4-5-6-7-8-9-10-11-13(14)12(2)3/h4,12-13H,1,5-11,14H2,2-3H3
InChIKeyLCBNILVFRYIFKU-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.89
Rot. Bonds9

About 2-methyldodec-11-en-3-amine

2-methyldodec-11-en-3-amine (PubChem CID 107010454) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is 2-methyldodec-11-en-3-amine.

Molecular Properties

Compound Name2-methyldodec-11-en-3-amine
PubChem CID107010454
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Name2-methyldodec-11-en-3-amine
SMILESC=CCCCCCCCC(N)C(C)C
InChIInChI=1S/C13H27N/c1-4-5-6-7-8-9-10-11-13(14)12(2)3/h4,12-13H,1,5-11,14H2,2-3H3
InChIKeyLCBNILVFRYIFKU-UHFFFAOYSA-N
XLogP3.89
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.89
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-methyldodec-11-en-3-amine?
The IUPAC name of 2-methyldodec-11-en-3-amine (CID 107010454) is 2-methyldodec-11-en-3-amine.
What is the SMILES notation for 2-methyldodec-11-en-3-amine?
The canonical SMILES for 2-methyldodec-11-en-3-amine is C=CCCCCCCCC(N)C(C)C.
What is the InChIKey of 2-methyldodec-11-en-3-amine?
The InChIKey is LCBNILVFRYIFKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-4-5-6-7-8-9-10-11-13(14)12(2)3/h4,12-13H,1,5-11,14H2,2-3H3.
What are the key properties of 2-methyldodec-11-en-3-amine?
2-methyldodec-11-en-3-amine has a molecular weight of 197.37 g/mol, XLogP of 3.89, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyldodec-11-en-3-amine is sourced from PubChem (CID 107010454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).