pentane-1,5-diamine;dihydrobromide

C5H16Br2N2 — CID 87582695

IUPACpentane-1,5-diamine;dihydrobromide
SMILESBr.Br.NCCCCCN
InChIInChI=1S/C5H14N2.2BrH/c6-4-2-1-3-5-7;;/h1-7H2;2*1H
InChIKeyUCSRNDDIHDDZTI-UHFFFAOYSA-N
MW264.00 g/mol
LogP1.23
Rot. Bonds4

About pentane-1,5-diamine;dihydrobromide

pentane-1,5-diamine;dihydrobromide (PubChem CID 87582695) has the molecular formula C5H16Br2N2 and a molecular weight of 264.00 g/mol. Its IUPAC name is pentane-1,5-diamine;dihydrobromide.

Molecular Properties

Compound Namepentane-1,5-diamine;dihydrobromide
PubChem CID87582695
Molecular FormulaC5H16Br2N2
Molecular Weight264.00 g/mol
Exact Mass261.97
IUPAC Namepentane-1,5-diamine;dihydrobromide
SMILESBr.Br.NCCCCCN
InChIInChI=1S/C5H14N2.2BrH/c6-4-2-1-3-5-7;;/h1-7H2;2*1H
InChIKeyUCSRNDDIHDDZTI-UHFFFAOYSA-N
XLogP1.23
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.00
LogP ≤ 51.23
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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Related Compounds

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pentane-1,5-diamine;tantalum
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hexane-1,6-diamine;platinum
CID 87698683
ethene;pentane-1,5-diamine
CID 155743145
azane;tetrakis(hexane-1,6-diamine);tris(platinum(2+))
CID 11693801
ethane-1,2-diamine;hexane-1,6-diamine;propane-1,3-diamine
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Frequently Asked Questions

What is the IUPAC name of pentane-1,5-diamine;dihydrobromide?
The IUPAC name of pentane-1,5-diamine;dihydrobromide (CID 87582695) is pentane-1,5-diamine;dihydrobromide.
What is the SMILES notation for pentane-1,5-diamine;dihydrobromide?
The canonical SMILES for pentane-1,5-diamine;dihydrobromide is Br.Br.NCCCCCN.
What is the InChIKey of pentane-1,5-diamine;dihydrobromide?
The InChIKey is UCSRNDDIHDDZTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N2.2BrH/c6-4-2-1-3-5-7;;/h1-7H2;2*1H.
What are the key properties of pentane-1,5-diamine;dihydrobromide?
pentane-1,5-diamine;dihydrobromide has a molecular weight of 264.00 g/mol, XLogP of 1.23, 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;dihydrobromide is sourced from PubChem (CID 87582695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).