N,N'-dideuteriohexane-1,6-diamine

C6H16N2 — CID 175731963

IUPACN,N'-dideuteriohexane-1,6-diamine
SMILES[2H]NCCCCCCN[2H]
InChIInChI=1S/C6H16N2/c7-5-3-1-2-4-6-8/h1-8H2/i/hD2
InChIKeyNAQMVNRVTILPCV-ZSJDYOACSA-N
MW118.22 g/mol
LogP0.46
Rot. Bonds7

About N,N'-dideuteriohexane-1,6-diamine

N,N'-dideuteriohexane-1,6-diamine (PubChem CID 175731963) has the molecular formula C6H16N2 and a molecular weight of 118.22 g/mol. Its IUPAC name is N,N'-dideuteriohexane-1,6-diamine.

Molecular Properties

Compound NameN,N'-dideuteriohexane-1,6-diamine
PubChem CID175731963
Molecular FormulaC6H16N2
Molecular Weight118.22 g/mol
Exact Mass118.14
IUPAC NameN,N'-dideuteriohexane-1,6-diamine
SMILES[2H]NCCCCCCN[2H]
InChIInChI=1S/C6H16N2/c7-5-3-1-2-4-6-8/h1-8H2/i/hD2
InChIKeyNAQMVNRVTILPCV-ZSJDYOACSA-N
XLogP0.46
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.22
LogP ≤ 50.46
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-1,2-diamine;N-deuteriopentan-1-amine
CID 174435241
N,N-dideuteriohexan-1-amine
CID 101274313
heptane-1,7-diamine;tetrahydrobromide
CID 174950337
butane-1,4-diamine;hexane-1,6-diamine;propane-1,3-diamine
CID 159415786
pentane-1,5-diamine;tantalum
CID 159829635
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

Frequently Asked Questions

What is the IUPAC name of N,N'-dideuteriohexane-1,6-diamine?
The IUPAC name of N,N'-dideuteriohexane-1,6-diamine (CID 175731963) is N,N'-dideuteriohexane-1,6-diamine.
What is the SMILES notation for N,N'-dideuteriohexane-1,6-diamine?
The canonical SMILES for N,N'-dideuteriohexane-1,6-diamine is [2H]NCCCCCCN[2H].
What is the InChIKey of N,N'-dideuteriohexane-1,6-diamine?
The InChIKey is NAQMVNRVTILPCV-ZSJDYOACSA-N. The full InChI is InChI=1S/C6H16N2/c7-5-3-1-2-4-6-8/h1-8H2/i/hD2.
What are the key properties of N,N'-dideuteriohexane-1,6-diamine?
N,N'-dideuteriohexane-1,6-diamine has a molecular weight of 118.22 g/mol, XLogP of 0.46, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dideuteriohexane-1,6-diamine is sourced from PubChem (CID 175731963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).