2-methyltridec-1-en-1-amine

C14H29N — CID 129059097

IUPAC2-methyltridec-1-en-1-amine
SMILESCCCCCCCCCCCC(C)=CN
InChIInChI=1S/C14H29N/c1-3-4-5-6-7-8-9-10-11-12-14(2)13-15/h13H,3-12,15H2,1-2H3
InChIKeyQPTGWJLWIMQBND-UHFFFAOYSA-N
MW211.39 g/mol
LogP4.77
Rot. Bonds10

About 2-methyltridec-1-en-1-amine

2-methyltridec-1-en-1-amine (PubChem CID 129059097) has the molecular formula C14H29N and a molecular weight of 211.39 g/mol. Its IUPAC name is 2-methyltridec-1-en-1-amine.

Molecular Properties

Compound Name2-methyltridec-1-en-1-amine
PubChem CID129059097
Molecular FormulaC14H29N
Molecular Weight211.39 g/mol
Exact Mass211.23
IUPAC Name2-methyltridec-1-en-1-amine
SMILESCCCCCCCCCCCC(C)=CN
InChIInChI=1S/C14H29N/c1-3-4-5-6-7-8-9-10-11-12-14(2)13-15/h13H,3-12,15H2,1-2H3
InChIKeyQPTGWJLWIMQBND-UHFFFAOYSA-N
XLogP4.77
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.39
LogP ≤ 54.77
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 2-methyltridec-1-en-1-amine?
The IUPAC name of 2-methyltridec-1-en-1-amine (CID 129059097) is 2-methyltridec-1-en-1-amine.
What is the SMILES notation for 2-methyltridec-1-en-1-amine?
The canonical SMILES for 2-methyltridec-1-en-1-amine is CCCCCCCCCCCC(C)=CN.
What is the InChIKey of 2-methyltridec-1-en-1-amine?
The InChIKey is QPTGWJLWIMQBND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N/c1-3-4-5-6-7-8-9-10-11-12-14(2)13-15/h13H,3-12,15H2,1-2H3.
What are the key properties of 2-methyltridec-1-en-1-amine?
2-methyltridec-1-en-1-amine has a molecular weight of 211.39 g/mol, XLogP of 4.77, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyltridec-1-en-1-amine is sourced from PubChem (CID 129059097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).