1-cyclopropyl-N-[1-(5-methylfuran-2-yl)ethyl]butan-1-amine

C14H23NO — CID 115769765

IUPAC1-cyclopropyl-N-[1-(5-methylfuran-2-yl)ethyl]butan-1-amine
SMILESCCCC(NC(C)c1ccc(C)o1)C1CC1
InChIInChI=1S/C14H23NO/c1-4-5-13(12-7-8-12)15-11(3)14-9-6-10(2)16-14/h6,9,11-13,15H,4-5,7-8H2,1-3H3
InChIKeyQKLLLKYFZZECDO-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.82
Rot. Bonds6

About 1-cyclopropyl-N-[1-(5-methylfuran-2-yl)ethyl]butan-1-amine

1-cyclopropyl-N-[1-(5-methylfuran-2-yl)ethyl]butan-1-amine (PubChem CID 115769765) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 1-cyclopropyl-N-[1-(5-methylfuran-2-yl)ethyl]butan-1-amine.

Molecular Properties

Compound Name1-cyclopropyl-N-[1-(5-methylfuran-2-yl)ethyl]butan-1-amine
PubChem CID115769765
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name1-cyclopropyl-N-[1-(5-methylfuran-2-yl)ethyl]butan-1-amine
SMILESCCCC(NC(C)c1ccc(C)o1)C1CC1
InChIInChI=1S/C14H23NO/c1-4-5-13(12-7-8-12)15-11(3)14-9-6-10(2)16-14/h6,9,11-13,15H,4-5,7-8H2,1-3H3
InChIKeyQKLLLKYFZZECDO-UHFFFAOYSA-N
XLogP3.82
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-cycloheptyl-N-[1-(5-methylfuran-2-yl)ethyl]ethanamine
CID 81389168
1-cyclopropyl-N-[(1R)-1-(4-methoxyphenyl)ethyl]butan-1-amine
CID 114275947
N-[1-(5-methylfuran-2-yl)ethyl]-1-phenylbutan-1-amine
CID 43684931
1-cyclopropyl-N-[1-(4-fluorophenyl)ethyl]butan-1-amine
CID 113338838
ethyl 2-[1-(5-methylfuran-2-yl)ethylamino]pentanoate
CID 83038809
2-methyl-N-[1-(5-methylfuran-2-yl)ethyl]pentan-1-amine
CID 43684897
(3R)-3-[1-(5-methylfuran-2-yl)ethylamino]butan-1-ol
CID 103871755
N-[(4-methylcyclohexyl)methyl]-1-(5-methylfuran-2-yl)ethanamine
CID 63242718
2-[1-(5-methylfuran-2-yl)ethylamino]butan-1-ol
CID 43207118
N-(cyclobutylmethyl)-1-(5-methylfuran-2-yl)ethanamine
CID 43298426
N-[1-(5-methylfuran-2-yl)ethyl]-1-propylpiperidin-4-amine
CID 43182992
N-[1-(5-methylfuran-2-yl)ethyl]cyclopentanamine
CID 43177408

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[1-(5-methylfuran-2-yl)ethyl]butan-1-amine?
The IUPAC name of 1-cyclopropyl-N-[1-(5-methylfuran-2-yl)ethyl]butan-1-amine (CID 115769765) is 1-cyclopropyl-N-[1-(5-methylfuran-2-yl)ethyl]butan-1-amine.
What is the SMILES notation for 1-cyclopropyl-N-[1-(5-methylfuran-2-yl)ethyl]butan-1-amine?
The canonical SMILES for 1-cyclopropyl-N-[1-(5-methylfuran-2-yl)ethyl]butan-1-amine is CCCC(NC(C)c1ccc(C)o1)C1CC1.
What is the InChIKey of 1-cyclopropyl-N-[1-(5-methylfuran-2-yl)ethyl]butan-1-amine?
The InChIKey is QKLLLKYFZZECDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-4-5-13(12-7-8-12)15-11(3)14-9-6-10(2)16-14/h6,9,11-13,15H,4-5,7-8H2,1-3H3.
What are the key properties of 1-cyclopropyl-N-[1-(5-methylfuran-2-yl)ethyl]butan-1-amine?
1-cyclopropyl-N-[1-(5-methylfuran-2-yl)ethyl]butan-1-amine has a molecular weight of 221.34 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[1-(5-methylfuran-2-yl)ethyl]butan-1-amine is sourced from PubChem (CID 115769765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).