N-[[3-(aminomethyl)oxetan-3-yl]methyl]-1-cyclobutylmethanamine

C10H20N2O — CID 115249475

IUPACN-[[3-(aminomethyl)oxetan-3-yl]methyl]-1-cyclobutylmethanamine
SMILESNCC1(CNCC2CCC2)COC1
InChIInChI=1S/C10H20N2O/c11-5-10(7-13-8-10)6-12-4-9-2-1-3-9/h9,12H,1-8,11H2
InChIKeyQMUHGQHHYHNDNW-UHFFFAOYSA-N
MW184.28 g/mol
LogP0.35
Rot. Bonds5

About N-[[3-(aminomethyl)oxetan-3-yl]methyl]-1-cyclobutylmethanamine

N-[[3-(aminomethyl)oxetan-3-yl]methyl]-1-cyclobutylmethanamine (PubChem CID 115249475) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is N-[[3-(aminomethyl)oxetan-3-yl]methyl]-1-cyclobutylmethanamine.

Molecular Properties

Compound NameN-[[3-(aminomethyl)oxetan-3-yl]methyl]-1-cyclobutylmethanamine
PubChem CID115249475
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC NameN-[[3-(aminomethyl)oxetan-3-yl]methyl]-1-cyclobutylmethanamine
SMILESNCC1(CNCC2CCC2)COC1
InChIInChI=1S/C10H20N2O/c11-5-10(7-13-8-10)6-12-4-9-2-1-3-9/h9,12H,1-8,11H2
InChIKeyQMUHGQHHYHNDNW-UHFFFAOYSA-N
XLogP0.35
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(aminomethyl)oxetan-3-yl]methyl]-1-cyclobutylmethanamine?
The IUPAC name of N-[[3-(aminomethyl)oxetan-3-yl]methyl]-1-cyclobutylmethanamine (CID 115249475) is N-[[3-(aminomethyl)oxetan-3-yl]methyl]-1-cyclobutylmethanamine.
What is the SMILES notation for N-[[3-(aminomethyl)oxetan-3-yl]methyl]-1-cyclobutylmethanamine?
The canonical SMILES for N-[[3-(aminomethyl)oxetan-3-yl]methyl]-1-cyclobutylmethanamine is NCC1(CNCC2CCC2)COC1.
What is the InChIKey of N-[[3-(aminomethyl)oxetan-3-yl]methyl]-1-cyclobutylmethanamine?
The InChIKey is QMUHGQHHYHNDNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c11-5-10(7-13-8-10)6-12-4-9-2-1-3-9/h9,12H,1-8,11H2.
What are the key properties of N-[[3-(aminomethyl)oxetan-3-yl]methyl]-1-cyclobutylmethanamine?
N-[[3-(aminomethyl)oxetan-3-yl]methyl]-1-cyclobutylmethanamine has a molecular weight of 184.28 g/mol, XLogP of 0.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(aminomethyl)oxetan-3-yl]methyl]-1-cyclobutylmethanamine is sourced from PubChem (CID 115249475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).