N-(cyclobutylmethyl)-1-(5-methylfuran-2-yl)ethanamine

C12H19NO — CID 43298426

IUPACN-(cyclobutylmethyl)-1-(5-methylfuran-2-yl)ethanamine
SMILESCc1ccc(C(C)NCC2CCC2)o1
InChIInChI=1S/C12H19NO/c1-9-6-7-12(14-9)10(2)13-8-11-4-3-5-11/h6-7,10-11,13H,3-5,8H2,1-2H3
InChIKeyBXLXQYUNFITKCD-UHFFFAOYSA-N
MW193.29 g/mol
LogP3.04
Rot. Bonds4

About N-(cyclobutylmethyl)-1-(5-methylfuran-2-yl)ethanamine

N-(cyclobutylmethyl)-1-(5-methylfuran-2-yl)ethanamine (PubChem CID 43298426) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-1-(5-methylfuran-2-yl)ethanamine.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-1-(5-methylfuran-2-yl)ethanamine
PubChem CID43298426
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC NameN-(cyclobutylmethyl)-1-(5-methylfuran-2-yl)ethanamine
SMILESCc1ccc(C(C)NCC2CCC2)o1
InChIInChI=1S/C12H19NO/c1-9-6-7-12(14-9)10(2)13-8-11-4-3-5-11/h6-7,10-11,13H,3-5,8H2,1-2H3
InChIKeyBXLXQYUNFITKCD-UHFFFAOYSA-N
XLogP3.04
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-methylcyclohexyl)methyl]-1-(5-methylfuran-2-yl)ethanamine
CID 63242718
4-[[1-(5-methylfuran-2-yl)ethylamino]methyl]cyclohexan-1-ol
CID 106125036
N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1-(5-methylfuran-2-yl)ethanamine
CID 54898654
1-cyclopentyl-3-[1-(5-methylfuran-2-yl)ethylamino]propan-2-ol
CID 103157408
N-[(5,5-dimethyloxolan-2-yl)methyl]-1-(5-methylfuran-2-yl)ethanamine
CID 116521281
5-[1-(cyclopentylmethylamino)ethyl]furan-2-carboxylic acid
CID 103237753
N-(cyclobutylmethyl)-1-(4-propan-2-ylphenyl)ethanamine
CID 43298332
(1S)-N-(cyclobutylmethyl)-1-(4-methoxyphenyl)ethanamine
CID 81371090
N-(1,3-dioxan-4-ylmethyl)-1-(5-methylfuran-2-yl)ethanamine
CID 81102675
N-[1-(5-methylfuran-2-yl)ethyl]cyclopentanamine
CID 43177408
1-(5-methylfuran-2-yl)-N-[2-(1-methylpiperidin-4-yl)ethyl]ethanamine
CID 115717489
tert-butyl 3-[[1-(5-methylfuran-2-yl)ethylamino]methyl]pyrrolidine-1-carboxylate
CID 104538101

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-1-(5-methylfuran-2-yl)ethanamine?
The IUPAC name of N-(cyclobutylmethyl)-1-(5-methylfuran-2-yl)ethanamine (CID 43298426) is N-(cyclobutylmethyl)-1-(5-methylfuran-2-yl)ethanamine.
What is the SMILES notation for N-(cyclobutylmethyl)-1-(5-methylfuran-2-yl)ethanamine?
The canonical SMILES for N-(cyclobutylmethyl)-1-(5-methylfuran-2-yl)ethanamine is Cc1ccc(C(C)NCC2CCC2)o1.
What is the InChIKey of N-(cyclobutylmethyl)-1-(5-methylfuran-2-yl)ethanamine?
The InChIKey is BXLXQYUNFITKCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-9-6-7-12(14-9)10(2)13-8-11-4-3-5-11/h6-7,10-11,13H,3-5,8H2,1-2H3.
What are the key properties of N-(cyclobutylmethyl)-1-(5-methylfuran-2-yl)ethanamine?
N-(cyclobutylmethyl)-1-(5-methylfuran-2-yl)ethanamine has a molecular weight of 193.29 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-1-(5-methylfuran-2-yl)ethanamine is sourced from PubChem (CID 43298426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).