N'-(2-ethyl-2-propan-2-ylcyclopropyl)morpholine-4-carboximidamide

C13H25N3O — CID 122098458

IUPACN'-(2-ethyl-2-propan-2-ylcyclopropyl)morpholine-4-carboximidamide
SMILESCCC1(C(C)C)CC1/N=C(\N)N1CCOCC1
InChIInChI=1S/C13H25N3O/c1-4-13(10(2)3)9-11(13)15-12(14)16-5-7-17-8-6-16/h10-11H,4-9H2,1-3H3,(H2,14,15)
InChIKeyILQRFZJFXAYFIF-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.46
Rot. Bonds3

About N'-(2-ethyl-2-propan-2-ylcyclopropyl)morpholine-4-carboximidamide

N'-(2-ethyl-2-propan-2-ylcyclopropyl)morpholine-4-carboximidamide (PubChem CID 122098458) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is N'-(2-ethyl-2-propan-2-ylcyclopropyl)morpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-(2-ethyl-2-propan-2-ylcyclopropyl)morpholine-4-carboximidamide
PubChem CID122098458
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC NameN'-(2-ethyl-2-propan-2-ylcyclopropyl)morpholine-4-carboximidamide
SMILESCCC1(C(C)C)CC1/N=C(\N)N1CCOCC1
InChIInChI=1S/C13H25N3O/c1-4-13(10(2)3)9-11(13)15-12(14)16-5-7-17-8-6-16/h10-11H,4-9H2,1-3H3,(H2,14,15)
InChIKeyILQRFZJFXAYFIF-UHFFFAOYSA-N
XLogP1.46
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.46
H-Bond Donors ≤ 51
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

2-(2-ethyl-2-propan-2-ylcyclopropyl)-1-propan-2-ylguanidine
CID 122098461
N'-(3-butoxy-2,2-dimethylcyclobutyl)morpholine-4-carboximidamide
CID 111823197
N'-(2-morpholin-4-ylpropyl)morpholine-4-carboximidamide
CID 111055185
N'-ethyl-1,4-oxazepane-4-carboximidamide
CID 62972618
N'-(2-methoxy-3,3-dimethylbutyl)morpholine-4-carboximidamide
CID 111757981
N'-[2-(4-methylpiperidin-1-yl)propyl]morpholine-4-carboximidamide;hydroiodide
CID 111086012
N'-[2-(4-methylpiperazin-1-yl)propyl]morpholine-4-carboximidamide
CID 111090365
N'-(2-ethylsulfonylethyl)morpholine-4-carboximidamide
CID 111100374
N'-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)morpholine-4-carboximidamide
CID 119148239
N'-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)morpholine-4-carboximidamide;hydroiodide
CID 119148238
N'-(2-ethoxyethyl)morpholine-4-carboximidamide;hydroiodide
CID 111045505
N'-[2-(diethylamino)ethyl]morpholine-4-carboximidamide;hydroiodide
CID 111022667

Frequently Asked Questions

What is the IUPAC name of N'-(2-ethyl-2-propan-2-ylcyclopropyl)morpholine-4-carboximidamide?
The IUPAC name of N'-(2-ethyl-2-propan-2-ylcyclopropyl)morpholine-4-carboximidamide (CID 122098458) is N'-(2-ethyl-2-propan-2-ylcyclopropyl)morpholine-4-carboximidamide.
What is the SMILES notation for N'-(2-ethyl-2-propan-2-ylcyclopropyl)morpholine-4-carboximidamide?
The canonical SMILES for N'-(2-ethyl-2-propan-2-ylcyclopropyl)morpholine-4-carboximidamide is CCC1(C(C)C)CC1/N=C(\N)N1CCOCC1.
What is the InChIKey of N'-(2-ethyl-2-propan-2-ylcyclopropyl)morpholine-4-carboximidamide?
The InChIKey is ILQRFZJFXAYFIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-4-13(10(2)3)9-11(13)15-12(14)16-5-7-17-8-6-16/h10-11H,4-9H2,1-3H3,(H2,14,15).
What are the key properties of N'-(2-ethyl-2-propan-2-ylcyclopropyl)morpholine-4-carboximidamide?
N'-(2-ethyl-2-propan-2-ylcyclopropyl)morpholine-4-carboximidamide has a molecular weight of 239.36 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-ethyl-2-propan-2-ylcyclopropyl)morpholine-4-carboximidamide is sourced from PubChem (CID 122098458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).