1-(furan-3-yl)-N-[(1-propylcyclobutyl)methyl]ethanamine

C14H23NO — CID 115893822

IUPAC1-(furan-3-yl)-N-[(1-propylcyclobutyl)methyl]ethanamine
SMILESCCCC1(CNC(C)c2ccoc2)CCC1
InChIInChI=1S/C14H23NO/c1-3-6-14(7-4-8-14)11-15-12(2)13-5-9-16-10-13/h5,9-10,12,15H,3-4,6-8,11H2,1-2H3
InChIKeyVZYWNYOTPKZTBB-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.90
Rot. Bonds6

About 1-(furan-3-yl)-N-[(1-propylcyclobutyl)methyl]ethanamine

1-(furan-3-yl)-N-[(1-propylcyclobutyl)methyl]ethanamine (PubChem CID 115893822) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 1-(furan-3-yl)-N-[(1-propylcyclobutyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(furan-3-yl)-N-[(1-propylcyclobutyl)methyl]ethanamine
PubChem CID115893822
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name1-(furan-3-yl)-N-[(1-propylcyclobutyl)methyl]ethanamine
SMILESCCCC1(CNC(C)c2ccoc2)CCC1
InChIInChI=1S/C14H23NO/c1-3-6-14(7-4-8-14)11-15-12(2)13-5-9-16-10-13/h5,9-10,12,15H,3-4,6-8,11H2,1-2H3
InChIKeyVZYWNYOTPKZTBB-UHFFFAOYSA-N
XLogP3.90
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 ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-yl)-N-[(1-propylcyclobutyl)methyl]ethanamine?
The IUPAC name of 1-(furan-3-yl)-N-[(1-propylcyclobutyl)methyl]ethanamine (CID 115893822) is 1-(furan-3-yl)-N-[(1-propylcyclobutyl)methyl]ethanamine.
What is the SMILES notation for 1-(furan-3-yl)-N-[(1-propylcyclobutyl)methyl]ethanamine?
The canonical SMILES for 1-(furan-3-yl)-N-[(1-propylcyclobutyl)methyl]ethanamine is CCCC1(CNC(C)c2ccoc2)CCC1.
What is the InChIKey of 1-(furan-3-yl)-N-[(1-propylcyclobutyl)methyl]ethanamine?
The InChIKey is VZYWNYOTPKZTBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-3-6-14(7-4-8-14)11-15-12(2)13-5-9-16-10-13/h5,9-10,12,15H,3-4,6-8,11H2,1-2H3.
What are the key properties of 1-(furan-3-yl)-N-[(1-propylcyclobutyl)methyl]ethanamine?
1-(furan-3-yl)-N-[(1-propylcyclobutyl)methyl]ethanamine has a molecular weight of 221.34 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-3-yl)-N-[(1-propylcyclobutyl)methyl]ethanamine is sourced from PubChem (CID 115893822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).