pentane-1,5-diamine;hydrochloride

C5H15ClN2 — CID 5351467

IUPACpentane-1,5-diamine;hydrochloride
SMILESCl.NCCCCCN
InChIInChI=1S/C5H14N2.ClH/c6-4-2-1-3-5-7;/h1-7H2;1H
InChIKeyRLNAIWYXIAJDTN-UHFFFAOYSA-N
MW138.64 g/mol
LogP0.50
Rot. Bonds4

About pentane-1,5-diamine;hydrochloride

pentane-1,5-diamine;hydrochloride (PubChem CID 5351467) has the molecular formula C5H15ClN2 and a molecular weight of 138.64 g/mol. Its IUPAC name is pentane-1,5-diamine;hydrochloride.

Molecular Properties

Compound Namepentane-1,5-diamine;hydrochloride
PubChem CID5351467
Molecular FormulaC5H15ClN2
Molecular Weight138.64 g/mol
Exact Mass138.09
IUPAC Namepentane-1,5-diamine;hydrochloride
SMILESCl.NCCCCCN
InChIInChI=1S/C5H14N2.ClH/c6-4-2-1-3-5-7;/h1-7H2;1H
InChIKeyRLNAIWYXIAJDTN-UHFFFAOYSA-N
XLogP0.50
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.64
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of pentane-1,5-diamine;hydrochloride?
The IUPAC name of pentane-1,5-diamine;hydrochloride (CID 5351467) is pentane-1,5-diamine;hydrochloride.
What is the SMILES notation for pentane-1,5-diamine;hydrochloride?
The canonical SMILES for pentane-1,5-diamine;hydrochloride is Cl.NCCCCCN.
What is the InChIKey of pentane-1,5-diamine;hydrochloride?
The InChIKey is RLNAIWYXIAJDTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N2.ClH/c6-4-2-1-3-5-7;/h1-7H2;1H.
What are the key properties of pentane-1,5-diamine;hydrochloride?
pentane-1,5-diamine;hydrochloride has a molecular weight of 138.64 g/mol, XLogP of 0.50, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pentane-1,5-diamine;hydrochloride is sourced from PubChem (CID 5351467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).