N'-methyl-N-(N'-methylcarbamimidoyl)morpholine-4-carboximidamide

C8H17N5O — CID 142073649

IUPACN'-methyl-N-(N'-methylcarbamimidoyl)morpholine-4-carboximidamide
SMILESC/N=C(\N)N/C(=N\C)N1CCOCC1
InChIInChI=1S/C8H17N5O/c1-10-7(9)12-8(11-2)13-3-5-14-6-4-13/h3-6H2,1-2H3,(H3,9,10,11,12)
InChIKeyDTYHPWPPCIUKFR-UHFFFAOYSA-N
MW199.26 g/mol
LogP-1.16
Rot. Bonds

About N'-methyl-N-(N'-methylcarbamimidoyl)morpholine-4-carboximidamide

N'-methyl-N-(N'-methylcarbamimidoyl)morpholine-4-carboximidamide (PubChem CID 142073649) has the molecular formula C8H17N5O and a molecular weight of 199.26 g/mol. Its IUPAC name is N'-methyl-N-(N'-methylcarbamimidoyl)morpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-methyl-N-(N'-methylcarbamimidoyl)morpholine-4-carboximidamide
PubChem CID142073649
Molecular FormulaC8H17N5O
Molecular Weight199.26 g/mol
Exact Mass199.14
IUPAC NameN'-methyl-N-(N'-methylcarbamimidoyl)morpholine-4-carboximidamide
SMILESC/N=C(\N)N/C(=N\C)N1CCOCC1
InChIInChI=1S/C8H17N5O/c1-10-7(9)12-8(11-2)13-3-5-14-6-4-13/h3-6H2,1-2H3,(H3,9,10,11,12)
InChIKeyDTYHPWPPCIUKFR-UHFFFAOYSA-N
XLogP-1.16
TPSA75.24 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.26
LogP ≤ 5-1.16
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'}

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Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-(N'-methylcarbamimidoyl)morpholine-4-carboximidamide?
The IUPAC name of N'-methyl-N-(N'-methylcarbamimidoyl)morpholine-4-carboximidamide (CID 142073649) is N'-methyl-N-(N'-methylcarbamimidoyl)morpholine-4-carboximidamide.
What is the SMILES notation for N'-methyl-N-(N'-methylcarbamimidoyl)morpholine-4-carboximidamide?
The canonical SMILES for N'-methyl-N-(N'-methylcarbamimidoyl)morpholine-4-carboximidamide is C/N=C(\N)N/C(=N\C)N1CCOCC1.
What is the InChIKey of N'-methyl-N-(N'-methylcarbamimidoyl)morpholine-4-carboximidamide?
The InChIKey is DTYHPWPPCIUKFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N5O/c1-10-7(9)12-8(11-2)13-3-5-14-6-4-13/h3-6H2,1-2H3,(H3,9,10,11,12).
What are the key properties of N'-methyl-N-(N'-methylcarbamimidoyl)morpholine-4-carboximidamide?
N'-methyl-N-(N'-methylcarbamimidoyl)morpholine-4-carboximidamide has a molecular weight of 199.26 g/mol, XLogP of -1.16, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-(N'-methylcarbamimidoyl)morpholine-4-carboximidamide is sourced from PubChem (CID 142073649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).