azane;tris(2-methylprop-1-ene);1,2,2,3-tetramethylpiperidine;hydrate

C21H48N2O — CID 175328184

IUPACazane;tris(2-methylprop-1-ene);1,2,2,3-tetramethylpiperidine;hydrate
SMILESC=C(C)C.C=C(C)C.C=C(C)C.CC1CCCN(C)C1(C)C.N.O
InChIInChI=1S/C9H19N.3C4H8.H3N.H2O/c1-8-6-5-7-10(4)9(8,2)3;3*1-4(2)3;;/h8H,5-7H2,1-4H3;3*1H2,2-3H3;1H3;1H2
InChIKeyYIOYXSDDDBQZJO-UHFFFAOYSA-N
MW344.63 g/mol
LogP6.21
Rot. Bonds

About azane;tris(2-methylprop-1-ene);1,2,2,3-tetramethylpiperidine;hydrate

azane;tris(2-methylprop-1-ene);1,2,2,3-tetramethylpiperidine;hydrate (PubChem CID 175328184) has the molecular formula C21H48N2O and a molecular weight of 344.63 g/mol. Its IUPAC name is azane;tris(2-methylprop-1-ene);1,2,2,3-tetramethylpiperidine;hydrate.

Molecular Properties

Compound Nameazane;tris(2-methylprop-1-ene);1,2,2,3-tetramethylpiperidine;hydrate
PubChem CID175328184
Molecular FormulaC21H48N2O
Molecular Weight344.63 g/mol
Exact Mass344.38
IUPAC Nameazane;tris(2-methylprop-1-ene);1,2,2,3-tetramethylpiperidine;hydrate
SMILESC=C(C)C.C=C(C)C.C=C(C)C.CC1CCCN(C)C1(C)C.N.O
InChIInChI=1S/C9H19N.3C4H8.H3N.H2O/c1-8-6-5-7-10(4)9(8,2)3;3*1-4(2)3;;/h8H,5-7H2,1-4H3;3*1H2,2-3H3;1H3;1H2
InChIKeyYIOYXSDDDBQZJO-UHFFFAOYSA-N
XLogP6.21
TPSA69.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.63
LogP ≤ 56.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of azane;tris(2-methylprop-1-ene);1,2,2,3-tetramethylpiperidine;hydrate?
The IUPAC name of azane;tris(2-methylprop-1-ene);1,2,2,3-tetramethylpiperidine;hydrate (CID 175328184) is azane;tris(2-methylprop-1-ene);1,2,2,3-tetramethylpiperidine;hydrate.
What is the SMILES notation for azane;tris(2-methylprop-1-ene);1,2,2,3-tetramethylpiperidine;hydrate?
The canonical SMILES for azane;tris(2-methylprop-1-ene);1,2,2,3-tetramethylpiperidine;hydrate is C=C(C)C.C=C(C)C.C=C(C)C.CC1CCCN(C)C1(C)C.N.O.
What is the InChIKey of azane;tris(2-methylprop-1-ene);1,2,2,3-tetramethylpiperidine;hydrate?
The InChIKey is YIOYXSDDDBQZJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N.3C4H8.H3N.H2O/c1-8-6-5-7-10(4)9(8,2)3;3*1-4(2)3;;/h8H,5-7H2,1-4H3;3*1H2,2-3H3;1H3;1H2.
What are the key properties of azane;tris(2-methylprop-1-ene);1,2,2,3-tetramethylpiperidine;hydrate?
azane;tris(2-methylprop-1-ene);1,2,2,3-tetramethylpiperidine;hydrate has a molecular weight of 344.63 g/mol, XLogP of 6.21, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;tris(2-methylprop-1-ene);1,2,2,3-tetramethylpiperidine;hydrate is sourced from PubChem (CID 175328184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).