hexane-1,6-diamine;methanamine

C9H31N5 — CID 174275715

IUPAChexane-1,6-diamine;methanamine
SMILESCN.CN.CN.NCCCCCCN
InChIInChI=1S/C6H16N2.3CH5N/c7-5-3-1-2-4-6-8;3*1-2/h1-8H2;3*2H2,1H3
InChIKeyBWAAHTPRUUECQD-UHFFFAOYSA-N
MW209.38 g/mol
LogP-0.81
Rot. Bonds5

About hexane-1,6-diamine;methanamine

hexane-1,6-diamine;methanamine (PubChem CID 174275715) has the molecular formula C9H31N5 and a molecular weight of 209.38 g/mol. Its IUPAC name is hexane-1,6-diamine;methanamine.

Molecular Properties

Compound Namehexane-1,6-diamine;methanamine
PubChem CID174275715
Molecular FormulaC9H31N5
Molecular Weight209.38 g/mol
Exact Mass209.26
IUPAC Namehexane-1,6-diamine;methanamine
SMILESCN.CN.CN.NCCCCCCN
InChIInChI=1S/C6H16N2.3CH5N/c7-5-3-1-2-4-6-8;3*1-2/h1-8H2;3*2H2,1H3
InChIKeyBWAAHTPRUUECQD-UHFFFAOYSA-N
XLogP-0.81
TPSA130.10 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 5-0.81
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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
methanamine;tridecan-1-amine
CID 22649914
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
ethene;pentane-1,5-diamine
CID 155743145
azane;tetrakis(hexane-1,6-diamine);tris(platinum(2+))
CID 11693801

Frequently Asked Questions

What is the IUPAC name of hexane-1,6-diamine;methanamine?
The IUPAC name of hexane-1,6-diamine;methanamine (CID 174275715) is hexane-1,6-diamine;methanamine.
What is the SMILES notation for hexane-1,6-diamine;methanamine?
The canonical SMILES for hexane-1,6-diamine;methanamine is CN.CN.CN.NCCCCCCN.
What is the InChIKey of hexane-1,6-diamine;methanamine?
The InChIKey is BWAAHTPRUUECQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2.3CH5N/c7-5-3-1-2-4-6-8;3*1-2/h1-8H2;3*2H2,1H3.
What are the key properties of hexane-1,6-diamine;methanamine?
hexane-1,6-diamine;methanamine has a molecular weight of 209.38 g/mol, XLogP of -0.81, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for hexane-1,6-diamine;methanamine is sourced from PubChem (CID 174275715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).