5,5,5-trichloropentan-1-amine

C5H10Cl3N — CID 23423634

IUPAC5,5,5-trichloropentan-1-amine
SMILESNCCCCC(Cl)(Cl)Cl
InChIInChI=1S/C5H10Cl3N/c6-5(7,8)3-1-2-4-9/h1-4,9H2
InChIKeyBAGJUUIEBUNDNW-UHFFFAOYSA-N
MW190.50 g/mol
LogP2.49
Rot. Bonds3

About 5,5,5-trichloropentan-1-amine

5,5,5-trichloropentan-1-amine (PubChem CID 23423634) has the molecular formula C5H10Cl3N and a molecular weight of 190.50 g/mol. Its IUPAC name is 5,5,5-trichloropentan-1-amine.

Molecular Properties

Compound Name5,5,5-trichloropentan-1-amine
PubChem CID23423634
Molecular FormulaC5H10Cl3N
Molecular Weight190.50 g/mol
Exact Mass188.99
IUPAC Name5,5,5-trichloropentan-1-amine
SMILESNCCCCC(Cl)(Cl)Cl
InChIInChI=1S/C5H10Cl3N/c6-5(7,8)3-1-2-4-9/h1-4,9H2
InChIKeyBAGJUUIEBUNDNW-UHFFFAOYSA-N
XLogP2.49
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.50
LogP ≤ 52.49
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'}

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Frequently Asked Questions

What is the IUPAC name of 5,5,5-trichloropentan-1-amine?
The IUPAC name of 5,5,5-trichloropentan-1-amine (CID 23423634) is 5,5,5-trichloropentan-1-amine.
What is the SMILES notation for 5,5,5-trichloropentan-1-amine?
The canonical SMILES for 5,5,5-trichloropentan-1-amine is NCCCCC(Cl)(Cl)Cl.
What is the InChIKey of 5,5,5-trichloropentan-1-amine?
The InChIKey is BAGJUUIEBUNDNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10Cl3N/c6-5(7,8)3-1-2-4-9/h1-4,9H2.
What are the key properties of 5,5,5-trichloropentan-1-amine?
5,5,5-trichloropentan-1-amine has a molecular weight of 190.50 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trichloropentan-1-amine is sourced from PubChem (CID 23423634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).