N'-methyl-8-(oxetan-3-yl)-3,8-diazabicyclo[3.2.1]octane-3-carboximidamide

C11H20N4O — CID 177162495

IUPACN'-methyl-8-(oxetan-3-yl)-3,8-diazabicyclo[3.2.1]octane-3-carboximidamide
SMILESC/N=C(\N)N1CC2CCC(C1)N2C1COC1
InChIInChI=1S/C11H20N4O/c1-13-11(12)14-4-8-2-3-9(5-14)15(8)10-6-16-7-10/h8-10H,2-7H2,1H3,(H2,12,13)
InChIKeyFAKWSICGZRAVIQ-UHFFFAOYSA-N
MW224.31 g/mol
LogP-0.52
Rot. Bonds1

About N'-methyl-8-(oxetan-3-yl)-3,8-diazabicyclo[3.2.1]octane-3-carboximidamide

N'-methyl-8-(oxetan-3-yl)-3,8-diazabicyclo[3.2.1]octane-3-carboximidamide (PubChem CID 177162495) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is N'-methyl-8-(oxetan-3-yl)-3,8-diazabicyclo[3.2.1]octane-3-carboximidamide.

Molecular Properties

Compound NameN'-methyl-8-(oxetan-3-yl)-3,8-diazabicyclo[3.2.1]octane-3-carboximidamide
PubChem CID177162495
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC NameN'-methyl-8-(oxetan-3-yl)-3,8-diazabicyclo[3.2.1]octane-3-carboximidamide
SMILESC/N=C(\N)N1CC2CCC(C1)N2C1COC1
InChIInChI=1S/C11H20N4O/c1-13-11(12)14-4-8-2-3-9(5-14)15(8)10-6-16-7-10/h8-10H,2-7H2,1H3,(H2,12,13)
InChIKeyFAKWSICGZRAVIQ-UHFFFAOYSA-N
XLogP-0.52
TPSA54.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 5-0.52
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

N'-[2-(3-methylmorpholin-4-yl)propyl]azepane-1-carboximidamide
CID 86779265
N'-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]morpholine-4-carboximidamide
CID 75514093
N'-[2-(3-methylmorpholin-4-yl)propyl]azepane-1-carboximidamide;hydroiodide
CID 86779264
N'-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]azepane-1-carboximidamide;hydroiodide
CID 86779287
N'-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]azepane-1-carboximidamide
CID 86779288
N'-[[(2R)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]azepane-1-carboximidamide
CID 97855769
N'-[[(2S)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]azepane-1-carboximidamide
CID 97855770
N'-[(2S)-2-[(3S)-3-methylmorpholin-4-yl]propyl]azepane-1-carboximidamide
CID 97855771
N'-[(2R)-2-[(3S)-3-methylmorpholin-4-yl]propyl]azepane-1-carboximidamide
CID 99849002
N'-[(1-ethylpyrrolidin-2-yl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 111026532
N'-[(1-ethylpyrrolidin-2-yl)methyl]morpholine-4-carboximidamide
CID 111026533
N'-(2-pyrrolidin-1-ylbutyl)morpholine-4-carboximidamide
CID 111055089

Frequently Asked Questions

What is the IUPAC name of N'-methyl-8-(oxetan-3-yl)-3,8-diazabicyclo[3.2.1]octane-3-carboximidamide?
The IUPAC name of N'-methyl-8-(oxetan-3-yl)-3,8-diazabicyclo[3.2.1]octane-3-carboximidamide (CID 177162495) is N'-methyl-8-(oxetan-3-yl)-3,8-diazabicyclo[3.2.1]octane-3-carboximidamide.
What is the SMILES notation for N'-methyl-8-(oxetan-3-yl)-3,8-diazabicyclo[3.2.1]octane-3-carboximidamide?
The canonical SMILES for N'-methyl-8-(oxetan-3-yl)-3,8-diazabicyclo[3.2.1]octane-3-carboximidamide is C/N=C(\N)N1CC2CCC(C1)N2C1COC1.
What is the InChIKey of N'-methyl-8-(oxetan-3-yl)-3,8-diazabicyclo[3.2.1]octane-3-carboximidamide?
The InChIKey is FAKWSICGZRAVIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-13-11(12)14-4-8-2-3-9(5-14)15(8)10-6-16-7-10/h8-10H,2-7H2,1H3,(H2,12,13).
What are the key properties of N'-methyl-8-(oxetan-3-yl)-3,8-diazabicyclo[3.2.1]octane-3-carboximidamide?
N'-methyl-8-(oxetan-3-yl)-3,8-diazabicyclo[3.2.1]octane-3-carboximidamide has a molecular weight of 224.31 g/mol, XLogP of -0.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-8-(oxetan-3-yl)-3,8-diazabicyclo[3.2.1]octane-3-carboximidamide is sourced from PubChem (CID 177162495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).