2,5-dichloropentan-1-amine

C5H11Cl2N — CID 533936

IUPAC2,5-dichloropentan-1-amine
SMILESNCC(Cl)CCCCl
InChIInChI=1S/C5H11Cl2N/c6-3-1-2-5(7)4-8/h5H,1-4,8H2
InChIKeyKFAUCDBUVPJWSB-UHFFFAOYSA-N
MW156.06 g/mol
LogP1.57
Rot. Bonds4

About 2,5-dichloropentan-1-amine

2,5-dichloropentan-1-amine (PubChem CID 533936) has the molecular formula C5H11Cl2N and a molecular weight of 156.06 g/mol. Its IUPAC name is 2,5-dichloropentan-1-amine.

Molecular Properties

Compound Name2,5-dichloropentan-1-amine
PubChem CID533936
Molecular FormulaC5H11Cl2N
Molecular Weight156.06 g/mol
Exact Mass155.03
IUPAC Name2,5-dichloropentan-1-amine
SMILESNCC(Cl)CCCCl
InChIInChI=1S/C5H11Cl2N/c6-3-1-2-5(7)4-8/h5H,1-4,8H2
InChIKeyKFAUCDBUVPJWSB-UHFFFAOYSA-N
XLogP1.57
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.06
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloropentan-1-amine?
The IUPAC name of 2,5-dichloropentan-1-amine (CID 533936) is 2,5-dichloropentan-1-amine.
What is the SMILES notation for 2,5-dichloropentan-1-amine?
The canonical SMILES for 2,5-dichloropentan-1-amine is NCC(Cl)CCCCl.
What is the InChIKey of 2,5-dichloropentan-1-amine?
The InChIKey is KFAUCDBUVPJWSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11Cl2N/c6-3-1-2-5(7)4-8/h5H,1-4,8H2.
What are the key properties of 2,5-dichloropentan-1-amine?
2,5-dichloropentan-1-amine has a molecular weight of 156.06 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloropentan-1-amine is sourced from PubChem (CID 533936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).