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

C9H17N5O — CID 176532777

IUPACN-(N'-cyclopropylcarbamimidoyl)morpholine-4-carboximidamide
SMILES[H]/N=C(/N/C(N)=N/C1CC1)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-0.68
Rot. Bonds1

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

N-(N'-cyclopropylcarbamimidoyl)morpholine-4-carboximidamide (PubChem CID 176532777) 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 CID176532777
Molecular FormulaC9H17N5O
Molecular Weight211.27 g/mol
Exact Mass211.14
IUPAC NameN-(N'-cyclopropylcarbamimidoyl)morpholine-4-carboximidamide
SMILES[H]/N=C(/N/C(N)=N/C1CC1)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-0.68
TPSA86.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 5-0.68
H-Bond Donors ≤ 53
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-(N'-cyclopropylcarbamimidoyl)morpholine-4-carboximidamide?
The IUPAC name of N-(N'-cyclopropylcarbamimidoyl)morpholine-4-carboximidamide (CID 176532777) 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 [H]/N=C(/N/C(N)=N/C1CC1)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 -0.68, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(N'-cyclopropylcarbamimidoyl)morpholine-4-carboximidamide is sourced from PubChem (CID 176532777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).