ethane-1,2-diamine;hexane-1,6-diamine;propane-1,3-diamine

C11H34N6 — CID 174976752

IUPACethane-1,2-diamine;hexane-1,6-diamine;propane-1,3-diamine
SMILESNCCCCCCN.NCCCN.NCCN
InChIInChI=1S/C6H16N2.C3H10N2.C2H8N2/c7-5-3-1-2-4-6-8;4-2-1-3-5;3-1-2-4/h1-8H2;1-5H2;1-4H2
InChIKeyBXWGEEKITYBBFT-UHFFFAOYSA-N
MW250.43 g/mol
LogP-1.34
Rot. Bonds8

About ethane-1,2-diamine;hexane-1,6-diamine;propane-1,3-diamine

ethane-1,2-diamine;hexane-1,6-diamine;propane-1,3-diamine (PubChem CID 174976752) has the molecular formula C11H34N6 and a molecular weight of 250.43 g/mol. Its IUPAC name is ethane-1,2-diamine;hexane-1,6-diamine;propane-1,3-diamine.

Molecular Properties

Compound Nameethane-1,2-diamine;hexane-1,6-diamine;propane-1,3-diamine
PubChem CID174976752
Molecular FormulaC11H34N6
Molecular Weight250.43 g/mol
Exact Mass250.28
IUPAC Nameethane-1,2-diamine;hexane-1,6-diamine;propane-1,3-diamine
SMILESNCCCCCCN.NCCCN.NCCN
InChIInChI=1S/C6H16N2.C3H10N2.C2H8N2/c7-5-3-1-2-4-6-8;4-2-1-3-5;3-1-2-4/h1-8H2;1-5H2;1-4H2
InChIKeyBXWGEEKITYBBFT-UHFFFAOYSA-N
XLogP-1.34
TPSA156.12 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.43
LogP ≤ 5-1.34
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

butane-1,4-diamine;hexane-1,6-diamine;propane-1,3-diamine
CID 159415786
octatriacontane-1,38-diamine
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CID 155315822
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CID 18179225
pentane-1,5-diamine;tantalum
CID 159829635
heptane-1,7-diamine;tetrahydrobromide
CID 174950337
octane-1,8-diamine;hydroiodide
CID 166637894
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 ethane-1,2-diamine;hexane-1,6-diamine;propane-1,3-diamine?
The IUPAC name of ethane-1,2-diamine;hexane-1,6-diamine;propane-1,3-diamine (CID 174976752) is ethane-1,2-diamine;hexane-1,6-diamine;propane-1,3-diamine.
What is the SMILES notation for ethane-1,2-diamine;hexane-1,6-diamine;propane-1,3-diamine?
The canonical SMILES for ethane-1,2-diamine;hexane-1,6-diamine;propane-1,3-diamine is NCCCCCCN.NCCCN.NCCN.
What is the InChIKey of ethane-1,2-diamine;hexane-1,6-diamine;propane-1,3-diamine?
The InChIKey is BXWGEEKITYBBFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2.C3H10N2.C2H8N2/c7-5-3-1-2-4-6-8;4-2-1-3-5;3-1-2-4/h1-8H2;1-5H2;1-4H2.
What are the key properties of ethane-1,2-diamine;hexane-1,6-diamine;propane-1,3-diamine?
ethane-1,2-diamine;hexane-1,6-diamine;propane-1,3-diamine has a molecular weight of 250.43 g/mol, XLogP of -1.34, 8 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-diamine;hexane-1,6-diamine;propane-1,3-diamine is sourced from PubChem (CID 174976752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).