N-(cyclobutylmethyl)-2-(oxolan-3-yl)ethanamine

C11H21NO — CID 102671743

IUPACN-(cyclobutylmethyl)-2-(oxolan-3-yl)ethanamine
SMILESC1CC(CNCCC2CCOC2)C1
InChIInChI=1S/C11H21NO/c1-2-10(3-1)8-12-6-4-11-5-7-13-9-11/h10-12H,1-9H2
InChIKeyLPMZOEALFWMAEV-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.80
Rot. Bonds5

About N-(cyclobutylmethyl)-2-(oxolan-3-yl)ethanamine

N-(cyclobutylmethyl)-2-(oxolan-3-yl)ethanamine (PubChem CID 102671743) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-2-(oxolan-3-yl)ethanamine.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-2-(oxolan-3-yl)ethanamine
PubChem CID102671743
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC NameN-(cyclobutylmethyl)-2-(oxolan-3-yl)ethanamine
SMILESC1CC(CNCCC2CCOC2)C1
InChIInChI=1S/C11H21NO/c1-2-10(3-1)8-12-6-4-11-5-7-13-9-11/h10-12H,1-9H2
InChIKeyLPMZOEALFWMAEV-UHFFFAOYSA-N
XLogP1.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-cyclopentyl-N-(oxan-3-ylmethyl)ethanamine
CID 63741099
3-cyclopentyl-N-(oxolan-3-ylmethyl)propan-1-amine
CID 115887250
N-(cyclobutylmethyl)-2-cyclohexylethanamine
CID 65457561
4-[[2-(oxolan-3-yl)ethylamino]methyl]pyrrolidin-3-ol
CID 120962917
N-ethyl-2-(oxan-3-yl)ethanamine
CID 64866831
1-[[2-(oxolan-3-yl)ethylamino]methyl]cycloheptan-1-ol
CID 102672319
2-cyclononyl-N-(cyclononylmethyl)ethanamine
CID 91347612
N-(oxolan-3-ylmethyl)propan-1-amine
CID 22355248
2-methoxy-N-(oxolan-3-ylmethyl)ethanamine
CID 43190181
1-cyclopentyl-N-(oxan-3-ylmethyl)methanamine
CID 61342622
ethyl 2-[2-(oxolan-3-yl)ethylamino]acetate
CID 107095448
1-methoxy-3-[2-(oxolan-3-yl)ethylamino]propan-2-ol
CID 102672307

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-2-(oxolan-3-yl)ethanamine?
The IUPAC name of N-(cyclobutylmethyl)-2-(oxolan-3-yl)ethanamine (CID 102671743) is N-(cyclobutylmethyl)-2-(oxolan-3-yl)ethanamine.
What is the SMILES notation for N-(cyclobutylmethyl)-2-(oxolan-3-yl)ethanamine?
The canonical SMILES for N-(cyclobutylmethyl)-2-(oxolan-3-yl)ethanamine is C1CC(CNCCC2CCOC2)C1.
What is the InChIKey of N-(cyclobutylmethyl)-2-(oxolan-3-yl)ethanamine?
The InChIKey is LPMZOEALFWMAEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-2-10(3-1)8-12-6-4-11-5-7-13-9-11/h10-12H,1-9H2.
What are the key properties of N-(cyclobutylmethyl)-2-(oxolan-3-yl)ethanamine?
N-(cyclobutylmethyl)-2-(oxolan-3-yl)ethanamine has a molecular weight of 183.29 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-2-(oxolan-3-yl)ethanamine is sourced from PubChem (CID 102671743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).