N-methyl-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)cyclohexan-1-amine

C12H22N2O — CID 156712169

IUPACN-methyl-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)cyclohexan-1-amine
SMILESCNC1CCC(N2CC3(COC3)C2)CC1
InChIInChI=1S/C12H22N2O/c1-13-10-2-4-11(5-3-10)14-6-12(7-14)8-15-9-12/h10-11,13H,2-9H2,1H3
InChIKeyAUMBYBZDGLOATJ-UHFFFAOYSA-N
MW210.32 g/mol
LogP0.85
Rot. Bonds2

About N-methyl-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)cyclohexan-1-amine

N-methyl-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)cyclohexan-1-amine (PubChem CID 156712169) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is N-methyl-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-methyl-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)cyclohexan-1-amine
PubChem CID156712169
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC NameN-methyl-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)cyclohexan-1-amine
SMILESCNC1CCC(N2CC3(COC3)C2)CC1
InChIInChI=1S/C12H22N2O/c1-13-10-2-4-11(5-3-10)14-6-12(7-14)8-15-9-12/h10-11,13H,2-9H2,1H3
InChIKeyAUMBYBZDGLOATJ-UHFFFAOYSA-N
XLogP0.85
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-N-methyl-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)cyclohexan-1-amine
CID 178010190
2-fluoro-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-N-propan-2-ylcyclohexan-1-amine
CID 178010653
(1R,2S,4R)-2-fluoro-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)cyclohexan-1-amine
CID 178547340
(1S,2R,4S)-2-fluoro-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)cyclohexan-1-amine
CID 178547818
N-ethyl-2-fluoro-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)cyclohexan-1-amine
CID 178010364
2-fluoro-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-N-propylcyclohexan-1-amine
CID 178011742
N-((3-Methyloxetan-3-yl)methyl)cyclohexanamine
CID 64369561
4-N-[(3-methyloxetan-3-yl)methyl]cyclohexane-1,4-diamine
CID 80130632
6-(Piperidin-4-yl)-2-oxa-6-azaspiro[3.3]heptane
CID 129030568
(1r,4r)-4-{2-Oxa-6-azaspiro[3.3]heptan-6-yl}cyclohexan-1-amine
CID 142544453
4-N-methyl-4-N-(oxetan-3-ylmethyl)cyclohexane-1,4-diamine
CID 154981203
[4-(2-Oxa-6-azaspiro[3.3]heptan-6-yl)cyclohexyl]hydrazine
CID 154995596

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)cyclohexan-1-amine?
The IUPAC name of N-methyl-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)cyclohexan-1-amine (CID 156712169) is N-methyl-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)cyclohexan-1-amine.
What is the SMILES notation for N-methyl-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)cyclohexan-1-amine?
The canonical SMILES for N-methyl-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)cyclohexan-1-amine is CNC1CCC(N2CC3(COC3)C2)CC1.
What is the InChIKey of N-methyl-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)cyclohexan-1-amine?
The InChIKey is AUMBYBZDGLOATJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-13-10-2-4-11(5-3-10)14-6-12(7-14)8-15-9-12/h10-11,13H,2-9H2,1H3.
What are the key properties of N-methyl-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)cyclohexan-1-amine?
N-methyl-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)cyclohexan-1-amine has a molecular weight of 210.32 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)cyclohexan-1-amine is sourced from PubChem (CID 156712169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).