hexane-1,6-diamine;2-(oxiran-2-ylmethoxymethyl)oxirane

C12H26N2O3 — CID 175215443

IUPAChexane-1,6-diamine;2-(oxiran-2-ylmethoxymethyl)oxirane
SMILESC(OCC1CO1)C1CO1.NCCCCCCN
InChIInChI=1S/C6H16N2.C6H10O3/c7-5-3-1-2-4-6-8;1(5-3-8-5)7-2-6-4-9-6/h1-8H2;5-6H,1-4H2
InChIKeyBEENVMRHIDHHBB-UHFFFAOYSA-N
MW246.35 g/mol
LogP0.26
Rot. Bonds9

About hexane-1,6-diamine;2-(oxiran-2-ylmethoxymethyl)oxirane

hexane-1,6-diamine;2-(oxiran-2-ylmethoxymethyl)oxirane (PubChem CID 175215443) has the molecular formula C12H26N2O3 and a molecular weight of 246.35 g/mol. Its IUPAC name is hexane-1,6-diamine;2-(oxiran-2-ylmethoxymethyl)oxirane.

Molecular Properties

Compound Namehexane-1,6-diamine;2-(oxiran-2-ylmethoxymethyl)oxirane
PubChem CID175215443
Molecular FormulaC12H26N2O3
Molecular Weight246.35 g/mol
Exact Mass246.19
IUPAC Namehexane-1,6-diamine;2-(oxiran-2-ylmethoxymethyl)oxirane
SMILESC(OCC1CO1)C1CO1.NCCCCCCN
InChIInChI=1S/C6H16N2.C6H10O3/c7-5-3-1-2-4-6-8;1(5-3-8-5)7-2-6-4-9-6/h1-8H2;5-6H,1-4H2
InChIKeyBEENVMRHIDHHBB-UHFFFAOYSA-N
XLogP0.26
TPSA86.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methane;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 167637417
3-[3-(oxiran-2-ylmethoxy)propylsilyl]propan-1-amine
CID 175540007
hexane-1,6-diol;bis(2-(oxiran-2-ylmethoxymethyl)oxirane)
CID 174983499
2-(oxiran-2-ylmethoxymethyl)oxirane;tetradecane
CID 87058991
2-[18-(oxiran-2-ylmethoxy)octadecoxymethyl]oxirane
CID 172718038
2-(oxiran-2-ylmethoxymethyl)oxirane;silane;3-triethoxysilylpropan-1-amine
CID 174864417
oxiran-2-ylmethyl 12-aminododecanoate
CID 139945465
4-[6-(oxiran-2-yl)hexoxy]butan-1-amine
CID 165009264
2-(oxiran-2-ylmethoxymethyl)oxirane;oxophosphane
CID 22290133
2-(oxiran-2-ylmethoxymethyl)oxirane diazide
CID 175700488
2-(oxiran-2-ylmethoxymethyl)oxirane;sulfur trioxide
CID 87769776
3-[[(4S)-1,3-dioxolan-4-yl]methoxy]propan-1-amine
CID 129395967

Frequently Asked Questions

What is the IUPAC name of hexane-1,6-diamine;2-(oxiran-2-ylmethoxymethyl)oxirane?
The IUPAC name of hexane-1,6-diamine;2-(oxiran-2-ylmethoxymethyl)oxirane (CID 175215443) is hexane-1,6-diamine;2-(oxiran-2-ylmethoxymethyl)oxirane.
What is the SMILES notation for hexane-1,6-diamine;2-(oxiran-2-ylmethoxymethyl)oxirane?
The canonical SMILES for hexane-1,6-diamine;2-(oxiran-2-ylmethoxymethyl)oxirane is C(OCC1CO1)C1CO1.NCCCCCCN.
What is the InChIKey of hexane-1,6-diamine;2-(oxiran-2-ylmethoxymethyl)oxirane?
The InChIKey is BEENVMRHIDHHBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2.C6H10O3/c7-5-3-1-2-4-6-8;1(5-3-8-5)7-2-6-4-9-6/h1-8H2;5-6H,1-4H2.
What are the key properties of hexane-1,6-diamine;2-(oxiran-2-ylmethoxymethyl)oxirane?
hexane-1,6-diamine;2-(oxiran-2-ylmethoxymethyl)oxirane has a molecular weight of 246.35 g/mol, XLogP of 0.26, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for hexane-1,6-diamine;2-(oxiran-2-ylmethoxymethyl)oxirane is sourced from PubChem (CID 175215443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).