N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(oxan-4-yl)ethanamine

C13H26N2O — CID 115245941

IUPACN-[[1-(aminomethyl)cyclobutyl]methyl]-2-(oxan-4-yl)ethanamine
SMILESNCC1(CNCCC2CCOCC2)CCC1
InChIInChI=1S/C13H26N2O/c14-10-13(5-1-6-13)11-15-7-2-12-3-8-16-9-4-12/h12,15H,1-11,14H2
InChIKeyQJKWTXUEBPTKGB-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.52
Rot. Bonds6

About N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(oxan-4-yl)ethanamine

N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(oxan-4-yl)ethanamine (PubChem CID 115245941) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(oxan-4-yl)ethanamine.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclobutyl]methyl]-2-(oxan-4-yl)ethanamine
PubChem CID115245941
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-[[1-(aminomethyl)cyclobutyl]methyl]-2-(oxan-4-yl)ethanamine
SMILESNCC1(CNCCC2CCOCC2)CCC1
InChIInChI=1S/C13H26N2O/c14-10-13(5-1-6-13)11-15-7-2-12-3-8-16-9-4-12/h12,15H,1-11,14H2
InChIKeyQJKWTXUEBPTKGB-UHFFFAOYSA-N
XLogP1.52
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(oxan-4-yl)ethanamine
CID 115244358
N-[[3-(aminomethyl)oxetan-3-yl]methyl]-2-cyclopentylethanamine
CID 115249593
N-[[1-(aminomethyl)cyclohexyl]methyl]-1-(oxolan-3-yl)methanamine
CID 115438163
[1-[(2-cyclopropylethylamino)methyl]cyclohexyl]methanol
CID 81419373
2-methoxy-N-[[1-(oxan-4-ylmethyl)cyclobutyl]methyl]ethanamine
CID 65196724
[2-(oxan-4-yl)ethylamino]methanethiol
CID 115228335
[4,4-dimethyl-1-(oxan-4-ylmethyl)cyclohexyl]methanamine
CID 65391768
3-[[2-(oxan-4-yl)ethylamino]methyl]cyclobutan-1-amine
CID 115214330
1-[[2-(oxolan-3-yl)ethylamino]methyl]cycloheptan-1-ol
CID 102672319
N-[[1-(chloromethyl)cyclopentyl]methyl]-1-(oxan-4-yl)methanamine
CID 115363368
2-methyl-N'-[2-(oxan-4-yl)ethyl]butane-1,4-diamine
CID 115203437
N-[[1-[[methyl(oxan-4-ylmethyl)amino]methyl]cyclopentyl]methyl]propan-1-amine
CID 63713396

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(oxan-4-yl)ethanamine?
The IUPAC name of N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(oxan-4-yl)ethanamine (CID 115245941) is N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(oxan-4-yl)ethanamine.
What is the SMILES notation for N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(oxan-4-yl)ethanamine?
The canonical SMILES for N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(oxan-4-yl)ethanamine is NCC1(CNCCC2CCOCC2)CCC1.
What is the InChIKey of N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(oxan-4-yl)ethanamine?
The InChIKey is QJKWTXUEBPTKGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c14-10-13(5-1-6-13)11-15-7-2-12-3-8-16-9-4-12/h12,15H,1-11,14H2.
What are the key properties of N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(oxan-4-yl)ethanamine?
N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(oxan-4-yl)ethanamine has a molecular weight of 226.36 g/mol, XLogP of 1.52, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(oxan-4-yl)ethanamine is sourced from PubChem (CID 115245941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).