dimethylazanide;N-[[4-(2-ethoxyethyl)morpholin-2-yl]methyl]-3-methylbut-1-en-2-amine;tungsten(2+)

C16H33N3O2W — CID 156795287

IUPACdimethylazanide;N-[[4-(2-ethoxyethyl)morpholin-2-yl]methyl]-3-methylbut-1-en-2-amine;tungsten(2+)
SMILESC=C(NCC1CN(CCOC[CH2-])CCO1)C(C)C.C[N-]C.[W+2]
InChIInChI=1S/C14H27N2O2.C2H6N.W/c1-5-17-8-6-16-7-9-18-14(11-16)10-15-13(4)12(2)3;1-3-2;/h12,14-15H,1,4-11H2,2-3H3;1-2H3;/q2*-1;+2
InChIKeyORJHKZCWVSBUKE-UHFFFAOYSA-N
MW483.30 g/mol
LogP1.91
Rot. Bonds8

About dimethylazanide;N-[[4-(2-ethoxyethyl)morpholin-2-yl]methyl]-3-methylbut-1-en-2-amine;tungsten(2+)

dimethylazanide;N-[[4-(2-ethoxyethyl)morpholin-2-yl]methyl]-3-methylbut-1-en-2-amine;tungsten(2+) (PubChem CID 156795287) has the molecular formula C16H33N3O2W and a molecular weight of 483.30 g/mol. Its IUPAC name is dimethylazanide;N-[[4-(2-ethoxyethyl)morpholin-2-yl]methyl]-3-methylbut-1-en-2-amine;tungsten(2+).

Molecular Properties

Compound Namedimethylazanide;N-[[4-(2-ethoxyethyl)morpholin-2-yl]methyl]-3-methylbut-1-en-2-amine;tungsten(2+)
PubChem CID156795287
Molecular FormulaC16H33N3O2W
Molecular Weight483.30 g/mol
Exact Mass483.21
IUPAC Namedimethylazanide;N-[[4-(2-ethoxyethyl)morpholin-2-yl]methyl]-3-methylbut-1-en-2-amine;tungsten(2+)
SMILESC=C(NCC1CN(CCOC[CH2-])CCO1)C(C)C.C[N-]C.[W+2]
InChIInChI=1S/C14H27N2O2.C2H6N.W/c1-5-17-8-6-16-7-9-18-14(11-16)10-15-13(4)12(2)3;1-3-2;/h12,14-15H,1,4-11H2,2-3H3;1-2H3;/q2*-1;+2
InChIKeyORJHKZCWVSBUKE-UHFFFAOYSA-N
XLogP1.91
TPSA47.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.30
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dimethylazanide;N-[[4-(2-ethoxyethyl)morpholin-2-yl]methyl]-3-methylbut-1-en-2-amine;tungsten(2+)?
The IUPAC name of dimethylazanide;N-[[4-(2-ethoxyethyl)morpholin-2-yl]methyl]-3-methylbut-1-en-2-amine;tungsten(2+) (CID 156795287) is dimethylazanide;N-[[4-(2-ethoxyethyl)morpholin-2-yl]methyl]-3-methylbut-1-en-2-amine;tungsten(2+).
What is the SMILES notation for dimethylazanide;N-[[4-(2-ethoxyethyl)morpholin-2-yl]methyl]-3-methylbut-1-en-2-amine;tungsten(2+)?
The canonical SMILES for dimethylazanide;N-[[4-(2-ethoxyethyl)morpholin-2-yl]methyl]-3-methylbut-1-en-2-amine;tungsten(2+) is C=C(NCC1CN(CCOC[CH2-])CCO1)C(C)C.C[N-]C.[W+2].
What is the InChIKey of dimethylazanide;N-[[4-(2-ethoxyethyl)morpholin-2-yl]methyl]-3-methylbut-1-en-2-amine;tungsten(2+)?
The InChIKey is ORJHKZCWVSBUKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N2O2.C2H6N.W/c1-5-17-8-6-16-7-9-18-14(11-16)10-15-13(4)12(2)3;1-3-2;/h12,14-15H,1,4-11H2,2-3H3;1-2H3;/q2*-1;+2.
What are the key properties of dimethylazanide;N-[[4-(2-ethoxyethyl)morpholin-2-yl]methyl]-3-methylbut-1-en-2-amine;tungsten(2+)?
dimethylazanide;N-[[4-(2-ethoxyethyl)morpholin-2-yl]methyl]-3-methylbut-1-en-2-amine;tungsten(2+) has a molecular weight of 483.30 g/mol, XLogP of 1.91, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylazanide;N-[[4-(2-ethoxyethyl)morpholin-2-yl]methyl]-3-methylbut-1-en-2-amine;tungsten(2+) is sourced from PubChem (CID 156795287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).