N-methyl-N-(methylamino)morpholine-4-carboximidamide

C7H16N4O — CID 146533582

IUPACN-methyl-N-(methylamino)morpholine-4-carboximidamide
SMILES[H]/N=C(/N1CCOCC1)N(C)NC
InChIInChI=1S/C7H16N4O/c1-9-10(2)7(8)11-3-5-12-6-4-11/h8-9H,3-6H2,1-2H3/b8-7+
InChIKeyJBYXJYKZRYQCQT-BQYQJAHWSA-N
MW172.23 g/mol
LogP-0.68
Rot. Bonds1

About N-methyl-N-(methylamino)morpholine-4-carboximidamide

N-methyl-N-(methylamino)morpholine-4-carboximidamide (PubChem CID 146533582) has the molecular formula C7H16N4O and a molecular weight of 172.23 g/mol. Its IUPAC name is N-methyl-N-(methylamino)morpholine-4-carboximidamide.

Molecular Properties

Compound NameN-methyl-N-(methylamino)morpholine-4-carboximidamide
PubChem CID146533582
Molecular FormulaC7H16N4O
Molecular Weight172.23 g/mol
Exact Mass172.13
IUPAC NameN-methyl-N-(methylamino)morpholine-4-carboximidamide
SMILES[H]/N=C(/N1CCOCC1)N(C)NC
InChIInChI=1S/C7H16N4O/c1-9-10(2)7(8)11-3-5-12-6-4-11/h8-9H,3-6H2,1-2H3/b8-7+
InChIKeyJBYXJYKZRYQCQT-BQYQJAHWSA-N
XLogP-0.68
TPSA51.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-0.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(methylamino)morpholine-4-carboximidamide?
The IUPAC name of N-methyl-N-(methylamino)morpholine-4-carboximidamide (CID 146533582) is N-methyl-N-(methylamino)morpholine-4-carboximidamide.
What is the SMILES notation for N-methyl-N-(methylamino)morpholine-4-carboximidamide?
The canonical SMILES for N-methyl-N-(methylamino)morpholine-4-carboximidamide is [H]/N=C(/N1CCOCC1)N(C)NC.
What is the InChIKey of N-methyl-N-(methylamino)morpholine-4-carboximidamide?
The InChIKey is JBYXJYKZRYQCQT-BQYQJAHWSA-N. The full InChI is InChI=1S/C7H16N4O/c1-9-10(2)7(8)11-3-5-12-6-4-11/h8-9H,3-6H2,1-2H3/b8-7+.
What are the key properties of N-methyl-N-(methylamino)morpholine-4-carboximidamide?
N-methyl-N-(methylamino)morpholine-4-carboximidamide has a molecular weight of 172.23 g/mol, XLogP of -0.68, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(methylamino)morpholine-4-carboximidamide is sourced from PubChem (CID 146533582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).