N-(3-aminocyclohexyl)-1-[(2-methylpropan-2-yl)oxy]methanimidate

C11H21N2O2- — CID 23378346

IUPACN-(3-aminocyclohexyl)-1-[(2-methylpropan-2-yl)oxy]methanimidate
SMILESCC(C)(C)O/C([O-])=N/C1CCCC(N)C1
InChIInChI=1S/C11H22N2O2/c1-11(2,3)15-10(14)13-9-6-4-5-8(12)7-9/h8-9H,4-7,12H2,1-3H3,(H,13,14)/p-1
InChIKeyOBSACSBMTRJNPH-UHFFFAOYSA-M
MW213.30 g/mol
LogP0.79
Rot. Bonds1

About N-(3-aminocyclohexyl)-1-[(2-methylpropan-2-yl)oxy]methanimidate

N-(3-aminocyclohexyl)-1-[(2-methylpropan-2-yl)oxy]methanimidate (PubChem CID 23378346) has the molecular formula C11H21N2O2- and a molecular weight of 213.30 g/mol. Its IUPAC name is N-(3-aminocyclohexyl)-1-[(2-methylpropan-2-yl)oxy]methanimidate.

Molecular Properties

Compound NameN-(3-aminocyclohexyl)-1-[(2-methylpropan-2-yl)oxy]methanimidate
PubChem CID23378346
Molecular FormulaC11H21N2O2-
Molecular Weight213.30 g/mol
Exact Mass213.16
IUPAC NameN-(3-aminocyclohexyl)-1-[(2-methylpropan-2-yl)oxy]methanimidate
SMILESCC(C)(C)O/C([O-])=N/C1CCCC(N)C1
InChIInChI=1S/C11H22N2O2/c1-11(2,3)15-10(14)13-9-6-4-5-8(12)7-9/h8-9H,4-7,12H2,1-3H3,(H,13,14)/p-1
InChIKeyOBSACSBMTRJNPH-UHFFFAOYSA-M
XLogP0.79
TPSA70.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

tert-butyl N-[(1R)-3-aminocyclohexyl]carbamate
CID 148734897
tert-butyl 2-(3-aminocyclohexyl)propanoate
CID 163419841
(E)-N'-[(1R,3S)-3-aminocyclohexyl]-2-fluoro-3-(methylamino)prop-2-enimidamide
CID 146526957
tert-butyl (3R)-3-aminocyclopentane-1-carboxylate
CID 121277242
tert-butyl 3-(3-aminocyclohexyl)piperidine-1-carboxylate
CID 91798867
tert-butyl (1R,5S)-3-aminobicyclo[3.2.1]octane-8-carboxylate
CID 155486891
N-[(3S,4R)-4-methylpiperidin-3-yl]-1-[(2-methylpropan-2-yl)oxy]methanimidate;molecular hydrogen
CID 158397031
trans-tert-butyl (3S,4S)-3-amino-4-hydroxycycloheptane-1-carboxylate
CID 155327795
tert-butyl N-(3-aminocyclopentyl)oxycarbamate
CID 105469849
tert-butyl acetate;cyclopropanamine
CID 174763638
tert-butyl 3-[(3-aminocyclohexyl)amino]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 107244911
tert-butyl (1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalene-1-carboxylate
CID 58855747

Frequently Asked Questions

What is the IUPAC name of N-(3-aminocyclohexyl)-1-[(2-methylpropan-2-yl)oxy]methanimidate?
The IUPAC name of N-(3-aminocyclohexyl)-1-[(2-methylpropan-2-yl)oxy]methanimidate (CID 23378346) is N-(3-aminocyclohexyl)-1-[(2-methylpropan-2-yl)oxy]methanimidate.
What is the SMILES notation for N-(3-aminocyclohexyl)-1-[(2-methylpropan-2-yl)oxy]methanimidate?
The canonical SMILES for N-(3-aminocyclohexyl)-1-[(2-methylpropan-2-yl)oxy]methanimidate is CC(C)(C)O/C([O-])=N/C1CCCC(N)C1.
What is the InChIKey of N-(3-aminocyclohexyl)-1-[(2-methylpropan-2-yl)oxy]methanimidate?
The InChIKey is OBSACSBMTRJNPH-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H22N2O2/c1-11(2,3)15-10(14)13-9-6-4-5-8(12)7-9/h8-9H,4-7,12H2,1-3H3,(H,13,14)/p-1.
What are the key properties of N-(3-aminocyclohexyl)-1-[(2-methylpropan-2-yl)oxy]methanimidate?
N-(3-aminocyclohexyl)-1-[(2-methylpropan-2-yl)oxy]methanimidate has a molecular weight of 213.30 g/mol, XLogP of 0.79, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminocyclohexyl)-1-[(2-methylpropan-2-yl)oxy]methanimidate is sourced from PubChem (CID 23378346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).