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

C15H29N3O2 — CID 122097698

IUPAC2-methyl-N'-[(2-propan-2-yloxan-4-yl)methyl]morpholine-4-carboximidamide
SMILESCC1CN(/C(N)=N/CC2CCOC(C(C)C)C2)CCO1
InChIInChI=1S/C15H29N3O2/c1-11(2)14-8-13(4-6-20-14)9-17-15(16)18-5-7-19-12(3)10-18/h11-14H,4-10H2,1-3H3,(H2,16,17)
InChIKeyCBYLDNXFAQPDQM-UHFFFAOYSA-N
MW283.42 g/mol
LogP1.47
Rot. Bonds3

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

2-methyl-N'-[(2-propan-2-yloxan-4-yl)methyl]morpholine-4-carboximidamide (PubChem CID 122097698) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is 2-methyl-N'-[(2-propan-2-yloxan-4-yl)methyl]morpholine-4-carboximidamide.

Molecular Properties

Compound Name2-methyl-N'-[(2-propan-2-yloxan-4-yl)methyl]morpholine-4-carboximidamide
PubChem CID122097698
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Name2-methyl-N'-[(2-propan-2-yloxan-4-yl)methyl]morpholine-4-carboximidamide
SMILESCC1CN(/C(N)=N/CC2CCOC(C(C)C)C2)CCO1
InChIInChI=1S/C15H29N3O2/c1-11(2)14-8-13(4-6-20-14)9-17-15(16)18-5-7-19-12(3)10-18/h11-14H,4-10H2,1-3H3,(H2,16,17)
InChIKeyCBYLDNXFAQPDQM-UHFFFAOYSA-N
XLogP1.47
TPSA60.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 51.47
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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Related Compounds

2-methyl-N'-[(2-methyloxan-4-yl)methyl]morpholine-4-carboximidamide
CID 120662006
2-methyl-N'-[(3-methylcyclopentyl)methyl]morpholine-4-carboximidamide
CID 120663210
N'-(cyclobutylmethyl)-2-methylmorpholine-4-carboximidamide
CID 120661244
2-methyl-N'-[(3-methylcyclohexyl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 120661395
2-methyl-N'-(5-oxaspiro[3.5]nonan-8-ylmethyl)morpholine-4-carboximidamide
CID 122097485
2-[[amino-(2-methylmorpholin-4-yl)methylidene]amino]-N-propan-2-ylacetamide;hydroiodide
CID 120661109
N'-[(1-methoxycyclopentyl)methyl]-2-methylmorpholine-4-carboximidamide
CID 122096742
2-methyl-N'-[2-(4-methylpiperidin-1-yl)ethyl]morpholine-4-carboximidamide;hydroiodide
CID 120661211
N'-(2-methoxy-3,3-dimethylbutyl)-2-methylmorpholine-4-carboximidamide
CID 120661582
N'-(3-cyclopropyl-3-methylbutyl)-2-methylmorpholine-4-carboximidamide
CID 122096622
N'-(2-methoxy-2-methylpropyl)-2-methylmorpholine-4-carboximidamide
CID 120661722
2-methyl-N'-[(2-methyloxolan-2-yl)methyl]morpholine-4-carboximidamide
CID 120661826

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N'-[(2-propan-2-yloxan-4-yl)methyl]morpholine-4-carboximidamide?
The IUPAC name of 2-methyl-N'-[(2-propan-2-yloxan-4-yl)methyl]morpholine-4-carboximidamide (CID 122097698) is 2-methyl-N'-[(2-propan-2-yloxan-4-yl)methyl]morpholine-4-carboximidamide.
What is the SMILES notation for 2-methyl-N'-[(2-propan-2-yloxan-4-yl)methyl]morpholine-4-carboximidamide?
The canonical SMILES for 2-methyl-N'-[(2-propan-2-yloxan-4-yl)methyl]morpholine-4-carboximidamide is CC1CN(/C(N)=N/CC2CCOC(C(C)C)C2)CCO1.
What is the InChIKey of 2-methyl-N'-[(2-propan-2-yloxan-4-yl)methyl]morpholine-4-carboximidamide?
The InChIKey is CBYLDNXFAQPDQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-11(2)14-8-13(4-6-20-14)9-17-15(16)18-5-7-19-12(3)10-18/h11-14H,4-10H2,1-3H3,(H2,16,17).
What are the key properties of 2-methyl-N'-[(2-propan-2-yloxan-4-yl)methyl]morpholine-4-carboximidamide?
2-methyl-N'-[(2-propan-2-yloxan-4-yl)methyl]morpholine-4-carboximidamide has a molecular weight of 283.42 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-[(2-propan-2-yloxan-4-yl)methyl]morpholine-4-carboximidamide is sourced from PubChem (CID 122097698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).