[3-(cyclohexylmethyl)oxetan-3-yl]methanamine

C11H21NO — CID 116930585

IUPAC[3-(cyclohexylmethyl)oxetan-3-yl]methanamine
SMILESNCC1(CC2CCCCC2)COC1
InChIInChI=1S/C11H21NO/c12-7-11(8-13-9-11)6-10-4-2-1-3-5-10/h10H,1-9,12H2
InChIKeyKRCQGNIPZFBHSU-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.93
Rot. Bonds3

About [3-(cyclohexylmethyl)oxetan-3-yl]methanamine

[3-(cyclohexylmethyl)oxetan-3-yl]methanamine (PubChem CID 116930585) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is [3-(cyclohexylmethyl)oxetan-3-yl]methanamine.

Molecular Properties

Compound Name[3-(cyclohexylmethyl)oxetan-3-yl]methanamine
PubChem CID116930585
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name[3-(cyclohexylmethyl)oxetan-3-yl]methanamine
SMILESNCC1(CC2CCCCC2)COC1
InChIInChI=1S/C11H21NO/c12-7-11(8-13-9-11)6-10-4-2-1-3-5-10/h10H,1-9,12H2
InChIKeyKRCQGNIPZFBHSU-UHFFFAOYSA-N
XLogP1.93
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(cyclopentylmethyl)oxetan-3-yl]methanamine
CID 116930584
[1-(cyclopentylmethyl)cyclopropyl]methanamine
CID 66024631
[4-(cyclohexylmethyl)oxan-4-yl]methanamine
CID 62906945
[4-(cyclopentylmethyl)oxan-4-yl]methanamine
CID 62905905
[3-(cyclohexylmethyl)oxolan-3-yl]methanol
CID 66060066
N-[[3-(aminomethyl)oxetan-3-yl]methyl]-2-cyclopentylethanamine
CID 115249593
[3-(cyclobutylmethyl)oxolan-3-yl]methanol
CID 130135661
2-[3-(cyclopentylmethyl)oxetan-3-yl]ethyl dihydrogen phosphate
CID 121460279
[4,4-dimethyl-1-(oxan-4-ylmethyl)cyclohexyl]methanamine
CID 65391768
[1-(2-cyclohexylethyl)cycloheptyl]methanamine
CID 114193187
(3-cyclohexylsulfanyloxetan-3-yl)methanamine
CID 117035318
N-[[3-(cyclohexylmethyl)oxan-3-yl]methyl]propan-1-amine
CID 63010486

Frequently Asked Questions

What is the IUPAC name of [3-(cyclohexylmethyl)oxetan-3-yl]methanamine?
The IUPAC name of [3-(cyclohexylmethyl)oxetan-3-yl]methanamine (CID 116930585) is [3-(cyclohexylmethyl)oxetan-3-yl]methanamine.
What is the SMILES notation for [3-(cyclohexylmethyl)oxetan-3-yl]methanamine?
The canonical SMILES for [3-(cyclohexylmethyl)oxetan-3-yl]methanamine is NCC1(CC2CCCCC2)COC1.
What is the InChIKey of [3-(cyclohexylmethyl)oxetan-3-yl]methanamine?
The InChIKey is KRCQGNIPZFBHSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c12-7-11(8-13-9-11)6-10-4-2-1-3-5-10/h10H,1-9,12H2.
What are the key properties of [3-(cyclohexylmethyl)oxetan-3-yl]methanamine?
[3-(cyclohexylmethyl)oxetan-3-yl]methanamine has a molecular weight of 183.29 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(cyclohexylmethyl)oxetan-3-yl]methanamine is sourced from PubChem (CID 116930585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).