N'-(N'-cyclopropylcarbamimidoyl)morpholine-4-carboximidamide

C9H17N5O — CID 18965204

IUPACN'-(N'-cyclopropylcarbamimidoyl)morpholine-4-carboximidamide
SMILESNC(=N\C1CC1)/N=C(\N)N1CCOCC1
InChIInChI=1S/C9H17N5O/c10-8(12-7-1-2-7)13-9(11)14-3-5-15-6-4-14/h7H,1-6H2,(H4,10,11,12,13)
InChIKeyRUUUEZVPSYHPET-UHFFFAOYSA-N
MW211.27 g/mol
LogP-0.89
Rot. Bonds1

About N'-(N'-cyclopropylcarbamimidoyl)morpholine-4-carboximidamide

N'-(N'-cyclopropylcarbamimidoyl)morpholine-4-carboximidamide (PubChem CID 18965204) has the molecular formula C9H17N5O and a molecular weight of 211.27 g/mol. Its IUPAC name is N'-(N'-cyclopropylcarbamimidoyl)morpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-(N'-cyclopropylcarbamimidoyl)morpholine-4-carboximidamide
PubChem CID18965204
Molecular FormulaC9H17N5O
Molecular Weight211.27 g/mol
Exact Mass211.14
IUPAC NameN'-(N'-cyclopropylcarbamimidoyl)morpholine-4-carboximidamide
SMILESNC(=N\C1CC1)/N=C(\N)N1CCOCC1
InChIInChI=1S/C9H17N5O/c10-8(12-7-1-2-7)13-9(11)14-3-5-15-6-4-14/h7H,1-6H2,(H4,10,11,12,13)
InChIKeyRUUUEZVPSYHPET-UHFFFAOYSA-N
XLogP-0.89
TPSA89.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 5-0.89
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

N,N'-di(propan-2-yl)morpholine-4-carboximidamide
CID 14423434
N'-(N'-cyclopropylcarbamimidoyl)morpholine-4-carboximidamide;hydrochloride
CID 18965203
N'-(N'-cyclopropylcarbamimidoyl)morpholine-4-carboximidamide
CID 54286974
1-[(3-methylmorpholin-4-yl)methyl]-2H-1,3,5-triazin-4-amine
CID 57132672
N'-propan-2-ylmorpholine-4-carboximidamide
CID 57837435
2-(2-Morpholin-4-ylethyl)-1-propan-2-ylguanidine
CID 62361958
1-(2-Methoxyethyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine
CID 66765615
N-[imino(cyclopropylamino)methyl]-4-morpholinecarboximidamide hydrochloride
CID 67849472
N'-(N,N-dimethylcarbamimidoyl)morpholine-4-carboximidamide
CID 72699403
N'-(N,N-dimethylcarbamimidoyl)morpholine-4-carboximidamide
CID 123256261
(3R)-N'-ethyl-3-methyl-N-methylidenemorpholine-4-carboximidamide
CID 139406105
(3R)-N',3-dimethylmorpholine-4-carboximidamide
CID 139406106

Frequently Asked Questions

What is the IUPAC name of N'-(N'-cyclopropylcarbamimidoyl)morpholine-4-carboximidamide?
The IUPAC name of N'-(N'-cyclopropylcarbamimidoyl)morpholine-4-carboximidamide (CID 18965204) is N'-(N'-cyclopropylcarbamimidoyl)morpholine-4-carboximidamide.
What is the SMILES notation for N'-(N'-cyclopropylcarbamimidoyl)morpholine-4-carboximidamide?
The canonical SMILES for N'-(N'-cyclopropylcarbamimidoyl)morpholine-4-carboximidamide is NC(=N\C1CC1)/N=C(\N)N1CCOCC1.
What is the InChIKey of N'-(N'-cyclopropylcarbamimidoyl)morpholine-4-carboximidamide?
The InChIKey is RUUUEZVPSYHPET-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O/c10-8(12-7-1-2-7)13-9(11)14-3-5-15-6-4-14/h7H,1-6H2,(H4,10,11,12,13).
What are the key properties of N'-(N'-cyclopropylcarbamimidoyl)morpholine-4-carboximidamide?
N'-(N'-cyclopropylcarbamimidoyl)morpholine-4-carboximidamide has a molecular weight of 211.27 g/mol, XLogP of -0.89, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(N'-cyclopropylcarbamimidoyl)morpholine-4-carboximidamide is sourced from PubChem (CID 18965204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).