3-[[2-(oxan-4-yl)ethylamino]methyl]cyclobutan-1-amine

C12H24N2O — CID 115214330

IUPAC3-[[2-(oxan-4-yl)ethylamino]methyl]cyclobutan-1-amine
SMILESNC1CC(CNCCC2CCOCC2)C1
InChIInChI=1S/C12H24N2O/c13-12-7-11(8-12)9-14-4-1-10-2-5-15-6-3-10/h10-12,14H,1-9,13H2
InChIKeyLEKCFXDTVSFFGQ-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.13
Rot. Bonds5

About 3-[[2-(oxan-4-yl)ethylamino]methyl]cyclobutan-1-amine

3-[[2-(oxan-4-yl)ethylamino]methyl]cyclobutan-1-amine (PubChem CID 115214330) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 3-[[2-(oxan-4-yl)ethylamino]methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-[[2-(oxan-4-yl)ethylamino]methyl]cyclobutan-1-amine
PubChem CID115214330
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name3-[[2-(oxan-4-yl)ethylamino]methyl]cyclobutan-1-amine
SMILESNC1CC(CNCCC2CCOCC2)C1
InChIInChI=1S/C12H24N2O/c13-12-7-11(8-12)9-14-4-1-10-2-5-15-6-3-10/h10-12,14H,1-9,13H2
InChIKeyLEKCFXDTVSFFGQ-UHFFFAOYSA-N
XLogP1.13
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.13
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

[2-(oxan-4-yl)ethylamino]methanethiol
CID 115228335
N-(cyclobutylmethyl)-2-(oxolan-3-yl)ethanamine
CID 102671743
3-[2-(oxan-4-yl)ethylamino]propane-1-thiol
CID 115225191
2-(oxan-4-yl)ethylurea
CID 68798130
1-[[2-(oxan-4-yl)ethylamino]methyl]azetidin-3-ol
CID 67355346
N'-(oxan-4-ylmethyl)methanediamine
CID 115225805
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(oxan-4-yl)ethanamine
CID 115244358
2-methyl-4-(oxan-4-ylmethylamino)butan-2-ol
CID 79355568
2-cyclopentyl-N-(oxan-3-ylmethyl)ethanamine
CID 63741099
2-methyl-N'-[2-(oxan-4-yl)ethyl]butane-1,4-diamine
CID 115203437
N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(oxan-4-yl)ethanamine
CID 115245941
tert-butyl 3-[2-(oxan-4-ylmethylamino)ethyl]piperidine-1-carboxylate
CID 103745414

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(oxan-4-yl)ethylamino]methyl]cyclobutan-1-amine?
The IUPAC name of 3-[[2-(oxan-4-yl)ethylamino]methyl]cyclobutan-1-amine (CID 115214330) is 3-[[2-(oxan-4-yl)ethylamino]methyl]cyclobutan-1-amine.
What is the SMILES notation for 3-[[2-(oxan-4-yl)ethylamino]methyl]cyclobutan-1-amine?
The canonical SMILES for 3-[[2-(oxan-4-yl)ethylamino]methyl]cyclobutan-1-amine is NC1CC(CNCCC2CCOCC2)C1.
What is the InChIKey of 3-[[2-(oxan-4-yl)ethylamino]methyl]cyclobutan-1-amine?
The InChIKey is LEKCFXDTVSFFGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c13-12-7-11(8-12)9-14-4-1-10-2-5-15-6-3-10/h10-12,14H,1-9,13H2.
What are the key properties of 3-[[2-(oxan-4-yl)ethylamino]methyl]cyclobutan-1-amine?
3-[[2-(oxan-4-yl)ethylamino]methyl]cyclobutan-1-amine has a molecular weight of 212.34 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(oxan-4-yl)ethylamino]methyl]cyclobutan-1-amine is sourced from PubChem (CID 115214330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).