2,5-dichloropentan-1-amine;hydrochloride

C5H12Cl3N — CID 2737572

IUPAC2,5-dichloropentan-1-amine;hydrochloride
SMILESCl.NCC(Cl)CCCCl
InChIInChI=1S/C5H11Cl2N.ClH/c6-3-1-2-5(7)4-8;/h5H,1-4,8H2;1H
InChIKeyATGSLQBVSZNJMT-UHFFFAOYSA-N
MW192.52 g/mol
LogP1.99
Rot. Bonds4

About 2,5-dichloropentan-1-amine;hydrochloride

2,5-dichloropentan-1-amine;hydrochloride (PubChem CID 2737572) has the molecular formula C5H12Cl3N and a molecular weight of 192.52 g/mol. Its IUPAC name is 2,5-dichloropentan-1-amine;hydrochloride.

Molecular Properties

Compound Name2,5-dichloropentan-1-amine;hydrochloride
PubChem CID2737572
Molecular FormulaC5H12Cl3N
Molecular Weight192.52 g/mol
Exact Mass191.00
IUPAC Name2,5-dichloropentan-1-amine;hydrochloride
SMILESCl.NCC(Cl)CCCCl
InChIInChI=1S/C5H11Cl2N.ClH/c6-3-1-2-5(7)4-8;/h5H,1-4,8H2;1H
InChIKeyATGSLQBVSZNJMT-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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Related Compounds

5-Chloropentan-1-amine hydrochloride
CID 18949894
4-Chlorobutan-1-amine hydrochloride
CID 19075906
6-Chlorohexan-1-amine hydrochloride
CID 20499258
4-Chlorobutan-1-amine
CID 12698240
6-Chlorohexan-1-amine
CID 17838841
5,5,5-Trichlorpentylamine
CID 23423634
2,5-Dichloropentylamine
CID 533936
2,5-Dichloropentylazanium chloride
CID 3017367
(2,5-Dichloropentyl)ammonium chloride
CID 44153213
rac-(1R,2S)-2-chlorocyclopentan-1-amine hydrochloride
CID 132353769
2,6-Dichlorohexan-1-amine
CID 19365345
1-Amino-2-chlorobutane hydrochloride
CID 20403571

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloropentan-1-amine;hydrochloride?
The IUPAC name of 2,5-dichloropentan-1-amine;hydrochloride (CID 2737572) is 2,5-dichloropentan-1-amine;hydrochloride.
What is the SMILES notation for 2,5-dichloropentan-1-amine;hydrochloride?
The canonical SMILES for 2,5-dichloropentan-1-amine;hydrochloride is Cl.NCC(Cl)CCCCl.
What is the InChIKey of 2,5-dichloropentan-1-amine;hydrochloride?
The InChIKey is ATGSLQBVSZNJMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11Cl2N.ClH/c6-3-1-2-5(7)4-8;/h5H,1-4,8H2;1H.
What are the key properties of 2,5-dichloropentan-1-amine;hydrochloride?
2,5-dichloropentan-1-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 2,5-dichloropentan-1-amine;hydrochloride is sourced from PubChem (CID 2737572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).