1,5-dichloropentan-3-amine;hydrochloride

C5H12Cl3N — CID 23615808

IUPAC1,5-dichloropentan-3-amine;hydrochloride
SMILESCl.NC(CCCl)CCCl
InChIInChI=1S/C5H11Cl2N.ClH/c6-3-1-5(8)2-4-7;/h5H,1-4,8H2;1H
InChIKeyXSAZHBQBSMVOBA-UHFFFAOYSA-N
MW192.52 g/mol
LogP1.99
Rot. Bonds4

About 1,5-dichloropentan-3-amine;hydrochloride

1,5-dichloropentan-3-amine;hydrochloride (PubChem CID 23615808) has the molecular formula C5H12Cl3N and a molecular weight of 192.52 g/mol. Its IUPAC name is 1,5-dichloropentan-3-amine;hydrochloride.

Molecular Properties

Compound Name1,5-dichloropentan-3-amine;hydrochloride
PubChem CID23615808
Molecular FormulaC5H12Cl3N
Molecular Weight192.52 g/mol
Exact Mass191.00
IUPAC Name1,5-dichloropentan-3-amine;hydrochloride
SMILESCl.NC(CCCl)CCCl
InChIInChI=1S/C5H11Cl2N.ClH/c6-3-1-5(8)2-4-7;/h5H,1-4,8H2;1H
InChIKeyXSAZHBQBSMVOBA-UHFFFAOYSA-N
XLogP1.99
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.52
LogP ≤ 51.99
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 1,5-dichloropentan-3-amine;hydrochloride?
The IUPAC name of 1,5-dichloropentan-3-amine;hydrochloride (CID 23615808) is 1,5-dichloropentan-3-amine;hydrochloride.
What is the SMILES notation for 1,5-dichloropentan-3-amine;hydrochloride?
The canonical SMILES for 1,5-dichloropentan-3-amine;hydrochloride is Cl.NC(CCCl)CCCl.
What is the InChIKey of 1,5-dichloropentan-3-amine;hydrochloride?
The InChIKey is XSAZHBQBSMVOBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11Cl2N.ClH/c6-3-1-5(8)2-4-7;/h5H,1-4,8H2;1H.
What are the key properties of 1,5-dichloropentan-3-amine;hydrochloride?
1,5-dichloropentan-3-amine;hydrochloride has a molecular weight of 192.52 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dichloropentan-3-amine;hydrochloride is sourced from PubChem (CID 23615808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).