4-methoxy-N'-propyloxane-4-carboximidamide

C10H20N2O2 — CID 116779981

IUPAC4-methoxy-N'-propyloxane-4-carboximidamide
SMILESCCC/N=C(\N)C1(OC)CCOCC1
InChIInChI=1S/C10H20N2O2/c1-3-6-12-9(11)10(13-2)4-7-14-8-5-10/h3-8H2,1-2H3,(H2,11,12)
InChIKeyWAMCXBZOGCPCJW-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.95
Rot. Bonds4

About 4-methoxy-N'-propyloxane-4-carboximidamide

4-methoxy-N'-propyloxane-4-carboximidamide (PubChem CID 116779981) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 4-methoxy-N'-propyloxane-4-carboximidamide.

Molecular Properties

Compound Name4-methoxy-N'-propyloxane-4-carboximidamide
PubChem CID116779981
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name4-methoxy-N'-propyloxane-4-carboximidamide
SMILESCCC/N=C(\N)C1(OC)CCOCC1
InChIInChI=1S/C10H20N2O2/c1-3-6-12-9(11)10(13-2)4-7-14-8-5-10/h3-8H2,1-2H3,(H2,11,12)
InChIKeyWAMCXBZOGCPCJW-UHFFFAOYSA-N
XLogP0.95
TPSA56.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.95
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

4-methoxy-N'-methyloxane-4-carboximidamide
CID 116779939
N'-ethyl-1-methoxy-4-methylcyclohexane-1-carboximidamide
CID 116779972
1-(4-methoxyoxan-4-yl)hexan-1-one
CID 116748600
1-(4-methoxyoxan-4-yl)-2-propoxyethanone
CID 116748657
methyl (3S)-3-methoxyoxolane-3-carboxylate
CID 125113070
methyl 3-amino-3-(4-methoxyoxan-4-yl)prop-2-enoate
CID 154109072
4-(4-methoxyoxan-4-yl)-4-oxobutanoic acid
CID 116774915
2-ethyl-2-methoxy-N'-propylbutanimidamide
CID 116779976
1-ethoxy-N'-(2-methylpropyl)cycloheptane-1-carboximidamide
CID 116780064
3-methoxy-3-methyl-N'-propylpiperidine-1-carboximidamide
CID 107393142
N,N-diethyl-4-(N'-hydroxycarbamimidoyl)oxane-4-carboxamide
CID 76920640
1-ethoxy-4,4-dimethyl-N'-(2-methylpropyl)cyclohexane-1-carboximidamide
CID 116780063

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N'-propyloxane-4-carboximidamide?
The IUPAC name of 4-methoxy-N'-propyloxane-4-carboximidamide (CID 116779981) is 4-methoxy-N'-propyloxane-4-carboximidamide.
What is the SMILES notation for 4-methoxy-N'-propyloxane-4-carboximidamide?
The canonical SMILES for 4-methoxy-N'-propyloxane-4-carboximidamide is CCC/N=C(\N)C1(OC)CCOCC1.
What is the InChIKey of 4-methoxy-N'-propyloxane-4-carboximidamide?
The InChIKey is WAMCXBZOGCPCJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-3-6-12-9(11)10(13-2)4-7-14-8-5-10/h3-8H2,1-2H3,(H2,11,12).
What are the key properties of 4-methoxy-N'-propyloxane-4-carboximidamide?
4-methoxy-N'-propyloxane-4-carboximidamide has a molecular weight of 200.28 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N'-propyloxane-4-carboximidamide is sourced from PubChem (CID 116779981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).