N'-[(1R,3S)-2,2-dimethyl-3-propan-2-yloxycyclobutyl]morpholine-4-carboximidamide

C14H27N3O2 — CID 99855466

IUPACN'-[(1R,3S)-2,2-dimethyl-3-propan-2-yloxycyclobutyl]morpholine-4-carboximidamide
SMILESCC(C)O[C@H]1C[C@@H](/N=C(\N)N2CCOCC2)C1(C)C
InChIInChI=1S/C14H27N3O2/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)/t11-,12+/m1/s1
InChIKeyBEVDECFMGFFMNV-NEPJUHHUSA-N
MW269.39 g/mol
LogP1.23
Rot. Bonds3

About N'-[(1R,3S)-2,2-dimethyl-3-propan-2-yloxycyclobutyl]morpholine-4-carboximidamide

N'-[(1R,3S)-2,2-dimethyl-3-propan-2-yloxycyclobutyl]morpholine-4-carboximidamide (PubChem CID 99855466) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is N'-[(1R,3S)-2,2-dimethyl-3-propan-2-yloxycyclobutyl]morpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-[(1R,3S)-2,2-dimethyl-3-propan-2-yloxycyclobutyl]morpholine-4-carboximidamide
PubChem CID99855466
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC NameN'-[(1R,3S)-2,2-dimethyl-3-propan-2-yloxycyclobutyl]morpholine-4-carboximidamide
SMILESCC(C)O[C@H]1C[C@@H](/N=C(\N)N2CCOCC2)C1(C)C
InChIInChI=1S/C14H27N3O2/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)/t11-,12+/m1/s1
InChIKeyBEVDECFMGFFMNV-NEPJUHHUSA-N
XLogP1.23
TPSA60.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 51.23
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'-[(1R,3S)-2,2-dimethyl-3-propan-2-yloxycyclobutyl]morpholine-4-carboximidamide?
The IUPAC name of N'-[(1R,3S)-2,2-dimethyl-3-propan-2-yloxycyclobutyl]morpholine-4-carboximidamide (CID 99855466) is N'-[(1R,3S)-2,2-dimethyl-3-propan-2-yloxycyclobutyl]morpholine-4-carboximidamide.
What is the SMILES notation for N'-[(1R,3S)-2,2-dimethyl-3-propan-2-yloxycyclobutyl]morpholine-4-carboximidamide?
The canonical SMILES for N'-[(1R,3S)-2,2-dimethyl-3-propan-2-yloxycyclobutyl]morpholine-4-carboximidamide is CC(C)O[C@H]1C[C@@H](/N=C(\N)N2CCOCC2)C1(C)C.
What is the InChIKey of N'-[(1R,3S)-2,2-dimethyl-3-propan-2-yloxycyclobutyl]morpholine-4-carboximidamide?
The InChIKey is BEVDECFMGFFMNV-NEPJUHHUSA-N. The full InChI is InChI=1S/C14H27N3O2/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)/t11-,12+/m1/s1.
What are the key properties of N'-[(1R,3S)-2,2-dimethyl-3-propan-2-yloxycyclobutyl]morpholine-4-carboximidamide?
N'-[(1R,3S)-2,2-dimethyl-3-propan-2-yloxycyclobutyl]morpholine-4-carboximidamide has a molecular weight of 269.39 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1R,3S)-2,2-dimethyl-3-propan-2-yloxycyclobutyl]morpholine-4-carboximidamide is sourced from PubChem (CID 99855466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).