N-(diaminomethylidene)-N'-methylmorpholine-4-carboximidamide;ethane

C9H21N5O — CID 142039327

IUPACN-(diaminomethylidene)-N'-methylmorpholine-4-carboximidamide;ethane
SMILESC/N=C(/N=C(N)N)N1CCOCC1.CC
InChIInChI=1S/C7H15N5O.C2H6/c1-10-7(11-6(8)9)12-2-4-13-5-3-12;1-2/h2-5H2,1H3,(H4,8,9,10,11);1-2H3
InChIKeyHNIFJERAUAEONG-UHFFFAOYSA-N
MW215.30 g/mol
LogP-0.40
Rot. Bonds

About N-(diaminomethylidene)-N'-methylmorpholine-4-carboximidamide;ethane

N-(diaminomethylidene)-N'-methylmorpholine-4-carboximidamide;ethane (PubChem CID 142039327) has the molecular formula C9H21N5O and a molecular weight of 215.30 g/mol. Its IUPAC name is N-(diaminomethylidene)-N'-methylmorpholine-4-carboximidamide;ethane.

Molecular Properties

Compound NameN-(diaminomethylidene)-N'-methylmorpholine-4-carboximidamide;ethane
PubChem CID142039327
Molecular FormulaC9H21N5O
Molecular Weight215.30 g/mol
Exact Mass215.17
IUPAC NameN-(diaminomethylidene)-N'-methylmorpholine-4-carboximidamide;ethane
SMILESC/N=C(/N=C(N)N)N1CCOCC1.CC
InChIInChI=1S/C7H15N5O.C2H6/c1-10-7(11-6(8)9)12-2-4-13-5-3-12;1-2/h2-5H2,1H3,(H4,8,9,10,11);1-2H3
InChIKeyHNIFJERAUAEONG-UHFFFAOYSA-N
XLogP-0.40
TPSA89.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
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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Related Compounds

Moroxydine
CID 71655
Moroxydine hydrochloride
CID 76621
Moroxydine (hydrochloride)
CID 137345966
N'-carbamimidoylmorpholine-4-carboximidamide
CID 137345967
N'-carbamimidoylmorpholine-4-carboximidamide;hydrochloride
CID 137704772
N'-aminomorpholine-4-carboximidamide
CID 5708811
Bioxin
CID 45357081
N-(aminoiminomethyl)-4-morpholinecarboximidamide mono-hydrochloride
CID 85988431
4-(6-Fluoro-2-methyl-1,2-dihydro-1,3,5-triazin-4-yl)morpholine
CID 176521204
N-(diaminomethylidene)morpholine-4-carboximidamide;hydron;chloride
CID 46863995
N'-carbamimidoylmorpholine-4-carboximidamide
CID 135742562
N'-carbamimidoylmorpholine-4-carboximidamide;hydron;chloride
CID 173046992

Frequently Asked Questions

What is the IUPAC name of N-(diaminomethylidene)-N'-methylmorpholine-4-carboximidamide;ethane?
The IUPAC name of N-(diaminomethylidene)-N'-methylmorpholine-4-carboximidamide;ethane (CID 142039327) is N-(diaminomethylidene)-N'-methylmorpholine-4-carboximidamide;ethane.
What is the SMILES notation for N-(diaminomethylidene)-N'-methylmorpholine-4-carboximidamide;ethane?
The canonical SMILES for N-(diaminomethylidene)-N'-methylmorpholine-4-carboximidamide;ethane is C/N=C(/N=C(N)N)N1CCOCC1.CC.
What is the InChIKey of N-(diaminomethylidene)-N'-methylmorpholine-4-carboximidamide;ethane?
The InChIKey is HNIFJERAUAEONG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N5O.C2H6/c1-10-7(11-6(8)9)12-2-4-13-5-3-12;1-2/h2-5H2,1H3,(H4,8,9,10,11);1-2H3.
What are the key properties of N-(diaminomethylidene)-N'-methylmorpholine-4-carboximidamide;ethane?
N-(diaminomethylidene)-N'-methylmorpholine-4-carboximidamide;ethane has a molecular weight of 215.30 g/mol, XLogP of -0.40, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diaminomethylidene)-N'-methylmorpholine-4-carboximidamide;ethane is sourced from PubChem (CID 142039327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).