butane-1,4-diamine;hexane-1,6-diamine;propane-1,3-diamine

C13H38N6 — CID 159415786

IUPACbutane-1,4-diamine;hexane-1,6-diamine;propane-1,3-diamine
SMILESNCCCCCCN.NCCCCN.NCCCN
InChIInChI=1S/C6H16N2.C4H12N2.C3H10N2/c7-5-3-1-2-4-6-8;5-3-1-2-4-6;4-2-1-3-5/h1-8H2;1-6H2;1-5H2
InChIKeyLPDJIHCDVJMABO-UHFFFAOYSA-N
MW278.49 g/mol
LogP-0.56
Rot. Bonds10

About butane-1,4-diamine;hexane-1,6-diamine;propane-1,3-diamine

butane-1,4-diamine;hexane-1,6-diamine;propane-1,3-diamine (PubChem CID 159415786) has the molecular formula C13H38N6 and a molecular weight of 278.49 g/mol. Its IUPAC name is butane-1,4-diamine;hexane-1,6-diamine;propane-1,3-diamine.

Molecular Properties

Compound Namebutane-1,4-diamine;hexane-1,6-diamine;propane-1,3-diamine
PubChem CID159415786
Molecular FormulaC13H38N6
Molecular Weight278.49 g/mol
Exact Mass278.32
IUPAC Namebutane-1,4-diamine;hexane-1,6-diamine;propane-1,3-diamine
SMILESNCCCCCCN.NCCCCN.NCCCN
InChIInChI=1S/C6H16N2.C4H12N2.C3H10N2/c7-5-3-1-2-4-6-8;5-3-1-2-4-6;4-2-1-3-5/h1-8H2;1-6H2;1-5H2
InChIKeyLPDJIHCDVJMABO-UHFFFAOYSA-N
XLogP-0.56
TPSA156.12 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.49
LogP ≤ 5-0.56
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze butane-1,4-diamine;hexane-1,6-diamine;propane-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane-1,2-diamine;hexane-1,6-diamine;propane-1,3-diamine
CID 174976752
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
pentane-1,5-diamine;tantalum
CID 159829635
octane-1,8-diamine;hydroiodide
CID 166637894
heptane-1,7-diamine;tetrahydrobromide
CID 174950337
pentane-1,5-diamine;dihydrobromide
CID 87582695
hexane-1,6-diamine;platinum
CID 87698683
azane;tetrakis(hexane-1,6-diamine);tris(platinum(2+))
CID 11693801
ethene;pentane-1,5-diamine
CID 155743145
hexane-1,6-diamine;methanamine
CID 174275715

Frequently Asked Questions

What is the IUPAC name of butane-1,4-diamine;hexane-1,6-diamine;propane-1,3-diamine?
The IUPAC name of butane-1,4-diamine;hexane-1,6-diamine;propane-1,3-diamine (CID 159415786) is butane-1,4-diamine;hexane-1,6-diamine;propane-1,3-diamine.
What is the SMILES notation for butane-1,4-diamine;hexane-1,6-diamine;propane-1,3-diamine?
The canonical SMILES for butane-1,4-diamine;hexane-1,6-diamine;propane-1,3-diamine is NCCCCCCN.NCCCCN.NCCCN.
What is the InChIKey of butane-1,4-diamine;hexane-1,6-diamine;propane-1,3-diamine?
The InChIKey is LPDJIHCDVJMABO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2.C4H12N2.C3H10N2/c7-5-3-1-2-4-6-8;5-3-1-2-4-6;4-2-1-3-5/h1-8H2;1-6H2;1-5H2.
What are the key properties of butane-1,4-diamine;hexane-1,6-diamine;propane-1,3-diamine?
butane-1,4-diamine;hexane-1,6-diamine;propane-1,3-diamine has a molecular weight of 278.49 g/mol, XLogP of -0.56, 10 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for butane-1,4-diamine;hexane-1,6-diamine;propane-1,3-diamine is sourced from PubChem (CID 159415786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).