N,N,N'-trimethylmorpholine-4-carboximidamide

C8H17N3O — CID 130659489

IUPACN,N,N'-trimethylmorpholine-4-carboximidamide
SMILESC/N=C(\N(C)C)N1CCOCC1
InChIInChI=1S/C8H17N3O/c1-9-8(10(2)3)11-4-6-12-7-5-11/h4-7H2,1-3H3/b9-8+
InChIKeyWFXABBXNVRAVCC-CMDGGOBGSA-N
MW171.24 g/mol
LogP-0.13
Rot. Bonds

About N,N,N'-trimethylmorpholine-4-carboximidamide

N,N,N'-trimethylmorpholine-4-carboximidamide (PubChem CID 130659489) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is N,N,N'-trimethylmorpholine-4-carboximidamide.

Molecular Properties

Compound NameN,N,N'-trimethylmorpholine-4-carboximidamide
PubChem CID130659489
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC NameN,N,N'-trimethylmorpholine-4-carboximidamide
SMILESC/N=C(\N(C)C)N1CCOCC1
InChIInChI=1S/C8H17N3O/c1-9-8(10(2)3)11-4-6-12-7-5-11/h4-7H2,1-3H3/b9-8+
InChIKeyWFXABBXNVRAVCC-CMDGGOBGSA-N
XLogP-0.13
TPSA28.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 5-0.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N,N'-trimethylmorpholine-4-carboximidamide?
The IUPAC name of N,N,N'-trimethylmorpholine-4-carboximidamide (CID 130659489) is N,N,N'-trimethylmorpholine-4-carboximidamide.
What is the SMILES notation for N,N,N'-trimethylmorpholine-4-carboximidamide?
The canonical SMILES for N,N,N'-trimethylmorpholine-4-carboximidamide is C/N=C(\N(C)C)N1CCOCC1.
What is the InChIKey of N,N,N'-trimethylmorpholine-4-carboximidamide?
The InChIKey is WFXABBXNVRAVCC-CMDGGOBGSA-N. The full InChI is InChI=1S/C8H17N3O/c1-9-8(10(2)3)11-4-6-12-7-5-11/h4-7H2,1-3H3/b9-8+.
What are the key properties of N,N,N'-trimethylmorpholine-4-carboximidamide?
N,N,N'-trimethylmorpholine-4-carboximidamide has a molecular weight of 171.24 g/mol, XLogP of -0.13, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N'-trimethylmorpholine-4-carboximidamide is sourced from PubChem (CID 130659489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).