N-[[3-(aminomethyl)oxetan-3-yl]methyl]-2-cyclohexyl-N-methylethanamine

C14H28N2O — CID 115249634

IUPACN-[[3-(aminomethyl)oxetan-3-yl]methyl]-2-cyclohexyl-N-methylethanamine
SMILESCN(CCC1CCCCC1)CC1(CN)COC1
InChIInChI=1S/C14H28N2O/c1-16(10-14(9-15)11-17-12-14)8-7-13-5-3-2-4-6-13/h13H,2-12,15H2,1H3
InChIKeyUYNWXPXGEBATCV-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.86
Rot. Bonds6

About N-[[3-(aminomethyl)oxetan-3-yl]methyl]-2-cyclohexyl-N-methylethanamine

N-[[3-(aminomethyl)oxetan-3-yl]methyl]-2-cyclohexyl-N-methylethanamine (PubChem CID 115249634) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is N-[[3-(aminomethyl)oxetan-3-yl]methyl]-2-cyclohexyl-N-methylethanamine.

Molecular Properties

Compound NameN-[[3-(aminomethyl)oxetan-3-yl]methyl]-2-cyclohexyl-N-methylethanamine
PubChem CID115249634
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC NameN-[[3-(aminomethyl)oxetan-3-yl]methyl]-2-cyclohexyl-N-methylethanamine
SMILESCN(CCC1CCCCC1)CC1(CN)COC1
InChIInChI=1S/C14H28N2O/c1-16(10-14(9-15)11-17-12-14)8-7-13-5-3-2-4-6-13/h13H,2-12,15H2,1H3
InChIKeyUYNWXPXGEBATCV-UHFFFAOYSA-N
XLogP1.86
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(aminomethyl)oxetan-3-yl]methyl]-2-cyclohexyl-N-methylethanamine?
The IUPAC name of N-[[3-(aminomethyl)oxetan-3-yl]methyl]-2-cyclohexyl-N-methylethanamine (CID 115249634) is N-[[3-(aminomethyl)oxetan-3-yl]methyl]-2-cyclohexyl-N-methylethanamine.
What is the SMILES notation for N-[[3-(aminomethyl)oxetan-3-yl]methyl]-2-cyclohexyl-N-methylethanamine?
The canonical SMILES for N-[[3-(aminomethyl)oxetan-3-yl]methyl]-2-cyclohexyl-N-methylethanamine is CN(CCC1CCCCC1)CC1(CN)COC1.
What is the InChIKey of N-[[3-(aminomethyl)oxetan-3-yl]methyl]-2-cyclohexyl-N-methylethanamine?
The InChIKey is UYNWXPXGEBATCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-16(10-14(9-15)11-17-12-14)8-7-13-5-3-2-4-6-13/h13H,2-12,15H2,1H3.
What are the key properties of N-[[3-(aminomethyl)oxetan-3-yl]methyl]-2-cyclohexyl-N-methylethanamine?
N-[[3-(aminomethyl)oxetan-3-yl]methyl]-2-cyclohexyl-N-methylethanamine has a molecular weight of 240.39 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(aminomethyl)oxetan-3-yl]methyl]-2-cyclohexyl-N-methylethanamine is sourced from PubChem (CID 115249634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).