N,N'-dimethoxyhexane-1,6-diamine

C8H20N2O2 — CID 58288617

IUPACN,N'-dimethoxyhexane-1,6-diamine
SMILESCONCCCCCCNOC
InChIInChI=1S/C8H20N2O2/c1-11-9-7-5-3-4-6-8-10-12-2/h9-10H,3-8H2,1-2H3
InChIKeyCELNMEUBSQRBGM-UHFFFAOYSA-N
MW176.26 g/mol
LogP0.85
Rot. Bonds9

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

N,N'-dimethoxyhexane-1,6-diamine (PubChem CID 58288617) has the molecular formula C8H20N2O2 and a molecular weight of 176.26 g/mol. Its IUPAC name is N,N'-dimethoxyhexane-1,6-diamine.

Molecular Properties

Compound NameN,N'-dimethoxyhexane-1,6-diamine
PubChem CID58288617
Molecular FormulaC8H20N2O2
Molecular Weight176.26 g/mol
Exact Mass176.15
IUPAC NameN,N'-dimethoxyhexane-1,6-diamine
SMILESCONCCCCCCNOC
InChIInChI=1S/C8H20N2O2/c1-11-9-7-5-3-4-6-8-10-12-2/h9-10H,3-8H2,1-2H3
InChIKeyCELNMEUBSQRBGM-UHFFFAOYSA-N
XLogP0.85
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N,N'-dimethoxyhexane-1,6-diamine?
The IUPAC name of N,N'-dimethoxyhexane-1,6-diamine (CID 58288617) is N,N'-dimethoxyhexane-1,6-diamine.
What is the SMILES notation for N,N'-dimethoxyhexane-1,6-diamine?
The canonical SMILES for N,N'-dimethoxyhexane-1,6-diamine is CONCCCCCCNOC.
What is the InChIKey of N,N'-dimethoxyhexane-1,6-diamine?
The InChIKey is CELNMEUBSQRBGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O2/c1-11-9-7-5-3-4-6-8-10-12-2/h9-10H,3-8H2,1-2H3.
What are the key properties of N,N'-dimethoxyhexane-1,6-diamine?
N,N'-dimethoxyhexane-1,6-diamine has a molecular weight of 176.26 g/mol, XLogP of 0.85, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethoxyhexane-1,6-diamine is sourced from PubChem (CID 58288617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).