(E)-N-methyldodec-1-en-1-amine

C13H27N — CID 20507469

IUPAC(E)-N-methyldodec-1-en-1-amine
SMILESCCCCCCCCCC/C=C/NC
InChIInChI=1S/C13H27N/c1-3-4-5-6-7-8-9-10-11-12-13-14-2/h12-14H,3-11H2,1-2H3/b13-12+
InChIKeyBTRQYJAPCOAJNG-OUKQBFOZSA-N
MW197.37 g/mol
LogP4.25
Rot. Bonds10

About (E)-N-methyldodec-1-en-1-amine

(E)-N-methyldodec-1-en-1-amine (PubChem CID 20507469) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is (E)-N-methyldodec-1-en-1-amine.

Molecular Properties

Compound Name(E)-N-methyldodec-1-en-1-amine
PubChem CID20507469
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Name(E)-N-methyldodec-1-en-1-amine
SMILESCCCCCCCCCC/C=C/NC
InChIInChI=1S/C13H27N/c1-3-4-5-6-7-8-9-10-11-12-13-14-2/h12-14H,3-11H2,1-2H3/b13-12+
InChIKeyBTRQYJAPCOAJNG-OUKQBFOZSA-N
XLogP4.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-methyldodec-1-en-1-amine?
The IUPAC name of (E)-N-methyldodec-1-en-1-amine (CID 20507469) is (E)-N-methyldodec-1-en-1-amine.
What is the SMILES notation for (E)-N-methyldodec-1-en-1-amine?
The canonical SMILES for (E)-N-methyldodec-1-en-1-amine is CCCCCCCCCC/C=C/NC.
What is the InChIKey of (E)-N-methyldodec-1-en-1-amine?
The InChIKey is BTRQYJAPCOAJNG-OUKQBFOZSA-N. The full InChI is InChI=1S/C13H27N/c1-3-4-5-6-7-8-9-10-11-12-13-14-2/h12-14H,3-11H2,1-2H3/b13-12+.
What are the key properties of (E)-N-methyldodec-1-en-1-amine?
(E)-N-methyldodec-1-en-1-amine has a molecular weight of 197.37 g/mol, XLogP of 4.25, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methyldodec-1-en-1-amine is sourced from PubChem (CID 20507469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).