hydrazine;2-[(2R)-2-methylbutoxy]oxane;(3R)-3-methyl-4-(oxan-2-yloxy)butan-1-amine;hydrate

C20H47N3O5 — CID 158281779

IUPAChydrazine;2-[(2R)-2-methylbutoxy]oxane;(3R)-3-methyl-4-(oxan-2-yloxy)butan-1-amine;hydrate
SMILESCC[C@@H](C)COC1CCCCO1.C[C@H](CCN)COC1CCCCO1.NN.O
InChIInChI=1S/C10H21NO2.C10H20O2.H4N2.H2O/c1-9(5-6-11)8-13-10-4-2-3-7-12-10;1-3-9(2)8-12-10-6-4-5-7-11-10;1-2;/h9-10H,2-8,11H2,1H3;9-10H,3-8H2,1-2H3;1-2H2;1H2/t2*9-,10?;;/m11../s1
InChIKeyOCBWCGUHJVBQJW-NFDKYKKZSA-N
MW409.61 g/mol
LogP2.08
Rot. Bonds9

About hydrazine;2-[(2R)-2-methylbutoxy]oxane;(3R)-3-methyl-4-(oxan-2-yloxy)butan-1-amine;hydrate

hydrazine;2-[(2R)-2-methylbutoxy]oxane;(3R)-3-methyl-4-(oxan-2-yloxy)butan-1-amine;hydrate (PubChem CID 158281779) has the molecular formula C20H47N3O5 and a molecular weight of 409.61 g/mol. Its IUPAC name is hydrazine;2-[(2R)-2-methylbutoxy]oxane;(3R)-3-methyl-4-(oxan-2-yloxy)butan-1-amine;hydrate.

Molecular Properties

Compound Namehydrazine;2-[(2R)-2-methylbutoxy]oxane;(3R)-3-methyl-4-(oxan-2-yloxy)butan-1-amine;hydrate
PubChem CID158281779
Molecular FormulaC20H47N3O5
Molecular Weight409.61 g/mol
Exact Mass409.35
IUPAC Namehydrazine;2-[(2R)-2-methylbutoxy]oxane;(3R)-3-methyl-4-(oxan-2-yloxy)butan-1-amine;hydrate
SMILESCC[C@@H](C)COC1CCCCO1.C[C@H](CCN)COC1CCCCO1.NN.O
InChIInChI=1S/C10H21NO2.C10H20O2.H4N2.H2O/c1-9(5-6-11)8-13-10-4-2-3-7-12-10;1-3-9(2)8-12-10-6-4-5-7-11-10;1-2;/h9-10H,2-8,11H2,1H3;9-10H,3-8H2,1-2H3;1-2H2;1H2/t2*9-,10?;;/m11../s1
InChIKeyOCBWCGUHJVBQJW-NFDKYKKZSA-N
XLogP2.08
TPSA146.48 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.61
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze hydrazine;2-[(2R)-2-methylbutoxy]oxane;(3R)-3-methyl-4-(oxan-2-yloxy)butan-1-amine;hydrate with MolForge

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Related Compounds

4-amino-2-methylbutan-1-ol;3-methyl-4-(oxan-2-yloxy)butan-1-amine
CID 159084006
2-[(2R)-2-methylpentoxy]oxane
CID 57327472
2-[(2R)-4-iodo-2-methylbutoxy]oxane
CID 11779415
2-(3-methylpentoxy)oxane
CID 14309360
2,6-dimethyl-7-(oxan-2-yloxy)heptan-1-ol
CID 85158047
(6S)-6-methyl-7-(oxan-2-yloxy)heptan-2-one
CID 11622725
2-(2-methylpent-4-ynoxy)oxane
CID 143125735
2-(2-propylpentoxy)oxane
CID 175998246
(3R)-3-[(2R)-oxan-2-yl]oxybutan-1-amine
CID 98010101
3-methyl-4-(oxan-2-yloxy)butanal
CID 58732523
(2R,5R)-2-(1-deuterioethyl)-5-methyl-6-(oxan-2-yloxy)hexane-1,2-diol
CID 10400448
2-(2,3,3-trimethylbutoxy)oxane
CID 145356481

Frequently Asked Questions

What is the IUPAC name of hydrazine;2-[(2R)-2-methylbutoxy]oxane;(3R)-3-methyl-4-(oxan-2-yloxy)butan-1-amine;hydrate?
The IUPAC name of hydrazine;2-[(2R)-2-methylbutoxy]oxane;(3R)-3-methyl-4-(oxan-2-yloxy)butan-1-amine;hydrate (CID 158281779) is hydrazine;2-[(2R)-2-methylbutoxy]oxane;(3R)-3-methyl-4-(oxan-2-yloxy)butan-1-amine;hydrate.
What is the SMILES notation for hydrazine;2-[(2R)-2-methylbutoxy]oxane;(3R)-3-methyl-4-(oxan-2-yloxy)butan-1-amine;hydrate?
The canonical SMILES for hydrazine;2-[(2R)-2-methylbutoxy]oxane;(3R)-3-methyl-4-(oxan-2-yloxy)butan-1-amine;hydrate is CC[C@@H](C)COC1CCCCO1.C[C@H](CCN)COC1CCCCO1.NN.O.
What is the InChIKey of hydrazine;2-[(2R)-2-methylbutoxy]oxane;(3R)-3-methyl-4-(oxan-2-yloxy)butan-1-amine;hydrate?
The InChIKey is OCBWCGUHJVBQJW-NFDKYKKZSA-N. The full InChI is InChI=1S/C10H21NO2.C10H20O2.H4N2.H2O/c1-9(5-6-11)8-13-10-4-2-3-7-12-10;1-3-9(2)8-12-10-6-4-5-7-11-10;1-2;/h9-10H,2-8,11H2,1H3;9-10H,3-8H2,1-2H3;1-2H2;1H2/t2*9-,10?;;/m11../s1.
What are the key properties of hydrazine;2-[(2R)-2-methylbutoxy]oxane;(3R)-3-methyl-4-(oxan-2-yloxy)butan-1-amine;hydrate?
hydrazine;2-[(2R)-2-methylbutoxy]oxane;(3R)-3-methyl-4-(oxan-2-yloxy)butan-1-amine;hydrate has a molecular weight of 409.61 g/mol, XLogP of 2.08, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for hydrazine;2-[(2R)-2-methylbutoxy]oxane;(3R)-3-methyl-4-(oxan-2-yloxy)butan-1-amine;hydrate is sourced from PubChem (CID 158281779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).