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

C9H18ClN5O — CID 18965203

IUPACN'-(N'-cyclopropylcarbamimidoyl)morpholine-4-carboximidamide;hydrochloride
SMILESCl.NC(=N\C1CC1)/N=C(\N)N1CCOCC1
InChIInChI=1S/C9H17N5O.ClH/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);1H
InChIKeyBPINQUNXHMOXTB-UHFFFAOYSA-N
MW247.73 g/mol
LogP-0.47
Rot. Bonds1

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

N'-(N'-cyclopropylcarbamimidoyl)morpholine-4-carboximidamide;hydrochloride (PubChem CID 18965203) has the molecular formula C9H18ClN5O and a molecular weight of 247.73 g/mol. Its IUPAC name is N'-(N'-cyclopropylcarbamimidoyl)morpholine-4-carboximidamide;hydrochloride.

Molecular Properties

Compound NameN'-(N'-cyclopropylcarbamimidoyl)morpholine-4-carboximidamide;hydrochloride
PubChem CID18965203
Molecular FormulaC9H18ClN5O
Molecular Weight247.73 g/mol
Exact Mass247.12
IUPAC NameN'-(N'-cyclopropylcarbamimidoyl)morpholine-4-carboximidamide;hydrochloride
SMILESCl.NC(=N\C1CC1)/N=C(\N)N1CCOCC1
InChIInChI=1S/C9H17N5O.ClH/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);1H
InChIKeyBPINQUNXHMOXTB-UHFFFAOYSA-N
XLogP-0.47
TPSA89.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.73
LogP ≤ 5-0.47
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'-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
N-[imino(cyclopropylamino)methyl]-4-morpholinecarboximidamide hydrochloride
CID 67849472
(3R)-N',3-dimethylmorpholine-4-carboximidamide
CID 139406106
N-(diaminomethylidene)-N'-methylmorpholine-4-carboximidamide;ethane
CID 142039327
(3R)-3-methyl-N'-(2-methylpropyl)morpholine-4-carboximidamide
CID 155417878
(NZ)-N-[amino(dimethylamino)methylidene]morpholine-4-carboximidamide;hydrochloride
CID 176523072
N-[amino(dimethylamino)methylidene]morpholine-4-carboximidamide;hydrochloride
CID 176525399
N-(N'-cyclopropylcarbamimidoyl)morpholine-4-carboximidamide
CID 176532777
N'-(N'-cyclopropylcarbamimidoyl)morpholine-4-carboximidamide
CID 18965204
N'-[2-[methyl(propan-2-yl)amino]ethyl]morpholine-4-carboximidamide;hydroiodide
CID 56801745

Frequently Asked Questions

What is the IUPAC name of N'-(N'-cyclopropylcarbamimidoyl)morpholine-4-carboximidamide;hydrochloride?
The IUPAC name of N'-(N'-cyclopropylcarbamimidoyl)morpholine-4-carboximidamide;hydrochloride (CID 18965203) is N'-(N'-cyclopropylcarbamimidoyl)morpholine-4-carboximidamide;hydrochloride.
What is the SMILES notation for N'-(N'-cyclopropylcarbamimidoyl)morpholine-4-carboximidamide;hydrochloride?
The canonical SMILES for N'-(N'-cyclopropylcarbamimidoyl)morpholine-4-carboximidamide;hydrochloride is Cl.NC(=N\C1CC1)/N=C(\N)N1CCOCC1.
What is the InChIKey of N'-(N'-cyclopropylcarbamimidoyl)morpholine-4-carboximidamide;hydrochloride?
The InChIKey is BPINQUNXHMOXTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O.ClH/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);1H.
What are the key properties of N'-(N'-cyclopropylcarbamimidoyl)morpholine-4-carboximidamide;hydrochloride?
N'-(N'-cyclopropylcarbamimidoyl)morpholine-4-carboximidamide;hydrochloride has a molecular weight of 247.73 g/mol, XLogP of -0.47, 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;hydrochloride is sourced from PubChem (CID 18965203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).