1-bromododecane;prop-2-en-1-amine

C15H32BrN — CID 121418946

IUPAC1-bromododecane;prop-2-en-1-amine
SMILESC=CCN.CCCCCCCCCCCCBr
InChIInChI=1S/C12H25Br.C3H7N/c1-2-3-4-5-6-7-8-9-10-11-12-13;1-2-3-4/h2-12H2,1H3;2H,1,3-4H2
InChIKeyVZEYIOURVILIGG-UHFFFAOYSA-N
MW306.33 g/mol
LogP5.43
Rot. Bonds11

About 1-bromododecane;prop-2-en-1-amine

1-bromododecane;prop-2-en-1-amine (PubChem CID 121418946) has the molecular formula C15H32BrN and a molecular weight of 306.33 g/mol. Its IUPAC name is 1-bromododecane;prop-2-en-1-amine.

Molecular Properties

Compound Name1-bromododecane;prop-2-en-1-amine
PubChem CID121418946
Molecular FormulaC15H32BrN
Molecular Weight306.33 g/mol
Exact Mass305.17
IUPAC Name1-bromododecane;prop-2-en-1-amine
SMILESC=CCN.CCCCCCCCCCCCBr
InChIInChI=1S/C12H25Br.C3H7N/c1-2-3-4-5-6-7-8-9-10-11-12-13;1-2-3-4/h2-12H2,1H3;2H,1,3-4H2
InChIKeyVZEYIOURVILIGG-UHFFFAOYSA-N
XLogP5.43
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.33
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-bromododecane;prop-2-en-1-amine?
The IUPAC name of 1-bromododecane;prop-2-en-1-amine (CID 121418946) is 1-bromododecane;prop-2-en-1-amine.
What is the SMILES notation for 1-bromododecane;prop-2-en-1-amine?
The canonical SMILES for 1-bromododecane;prop-2-en-1-amine is C=CCN.CCCCCCCCCCCCBr.
What is the InChIKey of 1-bromododecane;prop-2-en-1-amine?
The InChIKey is VZEYIOURVILIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25Br.C3H7N/c1-2-3-4-5-6-7-8-9-10-11-12-13;1-2-3-4/h2-12H2,1H3;2H,1,3-4H2.
What are the key properties of 1-bromododecane;prop-2-en-1-amine?
1-bromododecane;prop-2-en-1-amine has a molecular weight of 306.33 g/mol, XLogP of 5.43, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromododecane;prop-2-en-1-amine is sourced from PubChem (CID 121418946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).