benzene;hexane-1,6-diamine

C12H22N2 — CID 159264392

IUPACbenzene;hexane-1,6-diamine
SMILESNCCCCCCN.c1ccccc1
InChIInChI=1S/C6H16N2.C6H6/c7-5-3-1-2-4-6-8;1-2-4-6-5-3-1/h1-8H2;1-6H
InChIKeyKWXLWVOELBYOQM-UHFFFAOYSA-N
MW194.32 g/mol
LogP2.15
Rot. Bonds5

About benzene;hexane-1,6-diamine

benzene;hexane-1,6-diamine (PubChem CID 159264392) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is benzene;hexane-1,6-diamine.

Molecular Properties

Compound Namebenzene;hexane-1,6-diamine
PubChem CID159264392
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Namebenzene;hexane-1,6-diamine
SMILESNCCCCCCN.c1ccccc1
InChIInChI=1S/C6H16N2.C6H6/c7-5-3-1-2-4-6-8;1-2-4-6-5-3-1/h1-8H2;1-6H
InChIKeyKWXLWVOELBYOQM-UHFFFAOYSA-N
XLogP2.15
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 52.15
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

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
benzene;octadecan-1-amine
CID 175562752
heptane-1,7-diamine;tetrahydrobromide
CID 174950337
butane-1,4-diamine;hexane-1,6-diamine;propane-1,3-diamine
CID 159415786
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
ethane-1,2-diamine;hexane-1,6-diamine;propane-1,3-diamine
CID 174976752
azane;tetrakis(hexane-1,6-diamine);tris(platinum(2+))
CID 11693801

Frequently Asked Questions

What is the IUPAC name of benzene;hexane-1,6-diamine?
The IUPAC name of benzene;hexane-1,6-diamine (CID 159264392) is benzene;hexane-1,6-diamine.
What is the SMILES notation for benzene;hexane-1,6-diamine?
The canonical SMILES for benzene;hexane-1,6-diamine is NCCCCCCN.c1ccccc1.
What is the InChIKey of benzene;hexane-1,6-diamine?
The InChIKey is KWXLWVOELBYOQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2.C6H6/c7-5-3-1-2-4-6-8;1-2-4-6-5-3-1/h1-8H2;1-6H.
What are the key properties of benzene;hexane-1,6-diamine?
benzene;hexane-1,6-diamine has a molecular weight of 194.32 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;hexane-1,6-diamine is sourced from PubChem (CID 159264392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).