N'-[2-[methyl(propan-2-yl)amino]ethyl]morpholine-4-carboximidamide

C11H24N4O — CID 56801746

IUPACN'-[2-[methyl(propan-2-yl)amino]ethyl]morpholine-4-carboximidamide
SMILESCC(C)N(C)CC/N=C(\N)N1CCOCC1
InChIInChI=1S/C11H24N4O/c1-10(2)14(3)5-4-13-11(12)15-6-8-16-9-7-15/h10H,4-9H2,1-3H3,(H2,12,13)
InChIKeySNHVLVRPGKSPKZ-UHFFFAOYSA-N
MW228.34 g/mol
LogP-0.03
Rot. Bonds4

About N'-[2-[methyl(propan-2-yl)amino]ethyl]morpholine-4-carboximidamide

N'-[2-[methyl(propan-2-yl)amino]ethyl]morpholine-4-carboximidamide (PubChem CID 56801746) has the molecular formula C11H24N4O and a molecular weight of 228.34 g/mol. Its IUPAC name is N'-[2-[methyl(propan-2-yl)amino]ethyl]morpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-[2-[methyl(propan-2-yl)amino]ethyl]morpholine-4-carboximidamide
PubChem CID56801746
Molecular FormulaC11H24N4O
Molecular Weight228.34 g/mol
Exact Mass228.20
IUPAC NameN'-[2-[methyl(propan-2-yl)amino]ethyl]morpholine-4-carboximidamide
SMILESCC(C)N(C)CC/N=C(\N)N1CCOCC1
InChIInChI=1S/C11H24N4O/c1-10(2)14(3)5-4-13-11(12)15-6-8-16-9-7-15/h10H,4-9H2,1-3H3,(H2,12,13)
InChIKeySNHVLVRPGKSPKZ-UHFFFAOYSA-N
XLogP-0.03
TPSA54.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
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'-[2-[methyl(propan-2-yl)amino]ethyl]morpholine-4-carboximidamide?
The IUPAC name of N'-[2-[methyl(propan-2-yl)amino]ethyl]morpholine-4-carboximidamide (CID 56801746) is N'-[2-[methyl(propan-2-yl)amino]ethyl]morpholine-4-carboximidamide.
What is the SMILES notation for N'-[2-[methyl(propan-2-yl)amino]ethyl]morpholine-4-carboximidamide?
The canonical SMILES for N'-[2-[methyl(propan-2-yl)amino]ethyl]morpholine-4-carboximidamide is CC(C)N(C)CC/N=C(\N)N1CCOCC1.
What is the InChIKey of N'-[2-[methyl(propan-2-yl)amino]ethyl]morpholine-4-carboximidamide?
The InChIKey is SNHVLVRPGKSPKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4O/c1-10(2)14(3)5-4-13-11(12)15-6-8-16-9-7-15/h10H,4-9H2,1-3H3,(H2,12,13).
What are the key properties of N'-[2-[methyl(propan-2-yl)amino]ethyl]morpholine-4-carboximidamide?
N'-[2-[methyl(propan-2-yl)amino]ethyl]morpholine-4-carboximidamide has a molecular weight of 228.34 g/mol, XLogP of -0.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[methyl(propan-2-yl)amino]ethyl]morpholine-4-carboximidamide is sourced from PubChem (CID 56801746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).