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

C13H26N2O — CID 115249633

IUPACN-[[3-(aminomethyl)oxetan-3-yl]methyl]-2-cyclopentyl-N-methylethanamine
SMILESCN(CCC1CCCC1)CC1(CN)COC1
InChIInChI=1S/C13H26N2O/c1-15(7-6-12-4-2-3-5-12)9-13(8-14)10-16-11-13/h12H,2-11,14H2,1H3
InChIKeyBHEAWEJMOFGAOD-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.47
Rot. Bonds6

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

N-[[3-(aminomethyl)oxetan-3-yl]methyl]-2-cyclopentyl-N-methylethanamine (PubChem CID 115249633) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-[[3-(aminomethyl)oxetan-3-yl]methyl]-2-cyclopentyl-N-methylethanamine.

Molecular Properties

Compound NameN-[[3-(aminomethyl)oxetan-3-yl]methyl]-2-cyclopentyl-N-methylethanamine
PubChem CID115249633
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-[[3-(aminomethyl)oxetan-3-yl]methyl]-2-cyclopentyl-N-methylethanamine
SMILESCN(CCC1CCCC1)CC1(CN)COC1
InChIInChI=1S/C13H26N2O/c1-15(7-6-12-4-2-3-5-12)9-13(8-14)10-16-11-13/h12H,2-11,14H2,1H3
InChIKeyBHEAWEJMOFGAOD-UHFFFAOYSA-N
XLogP1.47
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.47
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-cyclopentyl-N-methylethanamine?
The IUPAC name of N-[[3-(aminomethyl)oxetan-3-yl]methyl]-2-cyclopentyl-N-methylethanamine (CID 115249633) is N-[[3-(aminomethyl)oxetan-3-yl]methyl]-2-cyclopentyl-N-methylethanamine.
What is the SMILES notation for N-[[3-(aminomethyl)oxetan-3-yl]methyl]-2-cyclopentyl-N-methylethanamine?
The canonical SMILES for N-[[3-(aminomethyl)oxetan-3-yl]methyl]-2-cyclopentyl-N-methylethanamine is CN(CCC1CCCC1)CC1(CN)COC1.
What is the InChIKey of N-[[3-(aminomethyl)oxetan-3-yl]methyl]-2-cyclopentyl-N-methylethanamine?
The InChIKey is BHEAWEJMOFGAOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-15(7-6-12-4-2-3-5-12)9-13(8-14)10-16-11-13/h12H,2-11,14H2,1H3.
What are the key properties of N-[[3-(aminomethyl)oxetan-3-yl]methyl]-2-cyclopentyl-N-methylethanamine?
N-[[3-(aminomethyl)oxetan-3-yl]methyl]-2-cyclopentyl-N-methylethanamine has a molecular weight of 226.36 g/mol, XLogP of 1.47, 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-cyclopentyl-N-methylethanamine is sourced from PubChem (CID 115249633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).