N'-(2,2-dimethyl-3-propan-2-yloxycyclobutyl)morpholine-4-carboximidamide;hydroiodide

C14H28IN3O2 — CID 91648418

IUPACN'-(2,2-dimethyl-3-propan-2-yloxycyclobutyl)morpholine-4-carboximidamide;hydroiodide
SMILESCC(C)OC1CC(/N=C(\N)N2CCOCC2)C1(C)C.I
InChIInChI=1S/C14H27N3O2.HI/c1-10(2)19-12-9-11(14(12,3)4)16-13(15)17-5-7-18-8-6-17;/h10-12H,5-9H2,1-4H3,(H2,15,16);1H
InChIKeyYVDUYHCHTSXCPV-UHFFFAOYSA-N
MW397.30 g/mol
LogP1.84
Rot. Bonds3

About N'-(2,2-dimethyl-3-propan-2-yloxycyclobutyl)morpholine-4-carboximidamide;hydroiodide

N'-(2,2-dimethyl-3-propan-2-yloxycyclobutyl)morpholine-4-carboximidamide;hydroiodide (PubChem CID 91648418) has the molecular formula C14H28IN3O2 and a molecular weight of 397.30 g/mol. Its IUPAC name is N'-(2,2-dimethyl-3-propan-2-yloxycyclobutyl)morpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-(2,2-dimethyl-3-propan-2-yloxycyclobutyl)morpholine-4-carboximidamide;hydroiodide
PubChem CID91648418
Molecular FormulaC14H28IN3O2
Molecular Weight397.30 g/mol
Exact Mass397.12
IUPAC NameN'-(2,2-dimethyl-3-propan-2-yloxycyclobutyl)morpholine-4-carboximidamide;hydroiodide
SMILESCC(C)OC1CC(/N=C(\N)N2CCOCC2)C1(C)C.I
InChIInChI=1S/C14H27N3O2.HI/c1-10(2)19-12-9-11(14(12,3)4)16-13(15)17-5-7-18-8-6-17;/h10-12H,5-9H2,1-4H3,(H2,15,16);1H
InChIKeyYVDUYHCHTSXCPV-UHFFFAOYSA-N
XLogP1.84
TPSA60.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.30
LogP ≤ 51.84
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(2,2-dimethyl-3-propan-2-yloxycyclobutyl)morpholine-4-carboximidamide;hydroiodide?
The IUPAC name of N'-(2,2-dimethyl-3-propan-2-yloxycyclobutyl)morpholine-4-carboximidamide;hydroiodide (CID 91648418) is N'-(2,2-dimethyl-3-propan-2-yloxycyclobutyl)morpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for N'-(2,2-dimethyl-3-propan-2-yloxycyclobutyl)morpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for N'-(2,2-dimethyl-3-propan-2-yloxycyclobutyl)morpholine-4-carboximidamide;hydroiodide is CC(C)OC1CC(/N=C(\N)N2CCOCC2)C1(C)C.I.
What is the InChIKey of N'-(2,2-dimethyl-3-propan-2-yloxycyclobutyl)morpholine-4-carboximidamide;hydroiodide?
The InChIKey is YVDUYHCHTSXCPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2.HI/c1-10(2)19-12-9-11(14(12,3)4)16-13(15)17-5-7-18-8-6-17;/h10-12H,5-9H2,1-4H3,(H2,15,16);1H.
What are the key properties of N'-(2,2-dimethyl-3-propan-2-yloxycyclobutyl)morpholine-4-carboximidamide;hydroiodide?
N'-(2,2-dimethyl-3-propan-2-yloxycyclobutyl)morpholine-4-carboximidamide;hydroiodide has a molecular weight of 397.30 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,2-dimethyl-3-propan-2-yloxycyclobutyl)morpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 91648418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).