azane;butane-1,4-diamine

C4H15N3 — CID 87378889

IUPACazane;butane-1,4-diamine
SMILESN.NCCCCN
InChIInChI=1S/C4H12N2.H3N/c5-3-1-2-4-6;/h1-6H2;1H3
InChIKeyVHLJSDQYNYEEEL-UHFFFAOYSA-N
MW105.19 g/mol
LogP-0.15
Rot. Bonds3

About azane;butane-1,4-diamine

azane;butane-1,4-diamine (PubChem CID 87378889) has the molecular formula C4H15N3 and a molecular weight of 105.19 g/mol. Its IUPAC name is azane;butane-1,4-diamine.

Molecular Properties

Compound Nameazane;butane-1,4-diamine
PubChem CID87378889
Molecular FormulaC4H15N3
Molecular Weight105.19 g/mol
Exact Mass105.13
IUPAC Nameazane;butane-1,4-diamine
SMILESN.NCCCCN
InChIInChI=1S/C4H12N2.H3N/c5-3-1-2-4-6;/h1-6H2;1H3
InChIKeyVHLJSDQYNYEEEL-UHFFFAOYSA-N
XLogP-0.15
TPSA87.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.19
LogP ≤ 5-0.15
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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Related Compounds

azane;tetrakis(hexane-1,6-diamine);tris(platinum(2+))
CID 11693801
octatriacontane-1,38-diamine
CID 54235792
icosane-1,20-diamine;nonadecane-1,19-diamine
CID 155315822
decane-1,10-diamine;nonane-1,9-diamine
CID 18179225
butane-1,4-diamine;europium
CID 90401592
azane;hexane-1,6-diamine;bis(platinum(2+));tetrachloride
CID 10372551
butane-1,4-diamine;hexane-1,6-diamine;propane-1,3-diamine
CID 159415786
heptane-1,7-diamine;tetrahydrobromide
CID 174950337
octane-1,8-diamine;hydroiodide
CID 166637894
pentane-1,5-diamine;tantalum
CID 159829635
pentane-1,5-diamine;dihydrobromide
CID 87582695
hexane-1,6-diamine;platinum
CID 87698683

Frequently Asked Questions

What is the IUPAC name of azane;butane-1,4-diamine?
The IUPAC name of azane;butane-1,4-diamine (CID 87378889) is azane;butane-1,4-diamine.
What is the SMILES notation for azane;butane-1,4-diamine?
The canonical SMILES for azane;butane-1,4-diamine is N.NCCCCN.
What is the InChIKey of azane;butane-1,4-diamine?
The InChIKey is VHLJSDQYNYEEEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N2.H3N/c5-3-1-2-4-6;/h1-6H2;1H3.
What are the key properties of azane;butane-1,4-diamine?
azane;butane-1,4-diamine has a molecular weight of 105.19 g/mol, XLogP of -0.15, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;butane-1,4-diamine is sourced from PubChem (CID 87378889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).