N-amino-N-methylmorpholine-4-carboximidamide

C6H14N4O — CID 45088563

IUPACN-amino-N-methylmorpholine-4-carboximidamide
SMILES[H]/N=C(\N(C)N)N1CCOCC1
InChIInChI=1S/C6H14N4O/c1-9(8)6(7)10-2-4-11-5-3-10/h7H,2-5,8H2,1H3/b7-6+
InChIKeyIJANKHWXVLNMNC-VOTSOKGWSA-N
MW158.21 g/mol
LogP-0.94
Rot. Bonds

About N-amino-N-methylmorpholine-4-carboximidamide

N-amino-N-methylmorpholine-4-carboximidamide (PubChem CID 45088563) has the molecular formula C6H14N4O and a molecular weight of 158.21 g/mol. Its IUPAC name is N-amino-N-methylmorpholine-4-carboximidamide.

Molecular Properties

Compound NameN-amino-N-methylmorpholine-4-carboximidamide
PubChem CID45088563
Molecular FormulaC6H14N4O
Molecular Weight158.21 g/mol
Exact Mass158.12
IUPAC NameN-amino-N-methylmorpholine-4-carboximidamide
SMILES[H]/N=C(\N(C)N)N1CCOCC1
InChIInChI=1S/C6H14N4O/c1-9(8)6(7)10-2-4-11-5-3-10/h7H,2-5,8H2,1H3/b7-6+
InChIKeyIJANKHWXVLNMNC-VOTSOKGWSA-N
XLogP-0.94
TPSA65.58 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.21
LogP ≤ 5-0.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'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-amino-N-methylmorpholine-4-carboximidamide?
The IUPAC name of N-amino-N-methylmorpholine-4-carboximidamide (CID 45088563) is N-amino-N-methylmorpholine-4-carboximidamide.
What is the SMILES notation for N-amino-N-methylmorpholine-4-carboximidamide?
The canonical SMILES for N-amino-N-methylmorpholine-4-carboximidamide is [H]/N=C(\N(C)N)N1CCOCC1.
What is the InChIKey of N-amino-N-methylmorpholine-4-carboximidamide?
The InChIKey is IJANKHWXVLNMNC-VOTSOKGWSA-N. The full InChI is InChI=1S/C6H14N4O/c1-9(8)6(7)10-2-4-11-5-3-10/h7H,2-5,8H2,1H3/b7-6+.
What are the key properties of N-amino-N-methylmorpholine-4-carboximidamide?
N-amino-N-methylmorpholine-4-carboximidamide has a molecular weight of 158.21 g/mol, XLogP of -0.94, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N-methylmorpholine-4-carboximidamide is sourced from PubChem (CID 45088563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).