pentane-1,5-diamine;piperidine

C10H25N3 — CID 21486306

IUPACpentane-1,5-diamine;piperidine
SMILESC1CCNCC1.NCCCCCN
InChIInChI=1S/C5H14N2.C5H11N/c6-4-2-1-3-5-7;1-2-4-6-5-3-1/h1-7H2;6H,1-5H2
InChIKeyDFWWHLIMSSSYCS-UHFFFAOYSA-N
MW187.33 g/mol
LogP0.83
Rot. Bonds4

About pentane-1,5-diamine;piperidine

pentane-1,5-diamine;piperidine (PubChem CID 21486306) has the molecular formula C10H25N3 and a molecular weight of 187.33 g/mol. Its IUPAC name is pentane-1,5-diamine;piperidine.

Molecular Properties

Compound Namepentane-1,5-diamine;piperidine
PubChem CID21486306
Molecular FormulaC10H25N3
Molecular Weight187.33 g/mol
Exact Mass187.20
IUPAC Namepentane-1,5-diamine;piperidine
SMILESC1CCNCC1.NCCCCCN
InChIInChI=1S/C5H14N2.C5H11N/c6-4-2-1-3-5-7;1-2-4-6-5-3-1/h1-7H2;6H,1-5H2
InChIKeyDFWWHLIMSSSYCS-UHFFFAOYSA-N
XLogP0.83
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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;piperidine?
The IUPAC name of pentane-1,5-diamine;piperidine (CID 21486306) is pentane-1,5-diamine;piperidine.
What is the SMILES notation for pentane-1,5-diamine;piperidine?
The canonical SMILES for pentane-1,5-diamine;piperidine is C1CCNCC1.NCCCCCN.
What is the InChIKey of pentane-1,5-diamine;piperidine?
The InChIKey is DFWWHLIMSSSYCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N2.C5H11N/c6-4-2-1-3-5-7;1-2-4-6-5-3-1/h1-7H2;6H,1-5H2.
What are the key properties of pentane-1,5-diamine;piperidine?
pentane-1,5-diamine;piperidine has a molecular weight of 187.33 g/mol, XLogP of 0.83, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pentane-1,5-diamine;piperidine is sourced from PubChem (CID 21486306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).