N-[1-(furan-3-yl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine

C14H23NO2 — CID 103559312

IUPACN-[1-(furan-3-yl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine
SMILESCCCNC(CC1(OC)CCC1)c1ccoc1
InChIInChI=1S/C14H23NO2/c1-3-8-15-13(12-5-9-17-11-12)10-14(16-2)6-4-7-14/h5,9,11,13,15H,3-4,6-8,10H2,1-2H3
InChIKeyQPQSVUSDVJOIKE-UHFFFAOYSA-N
MW237.34 g/mol
LogP3.28
Rot. Bonds7

About N-[1-(furan-3-yl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine

N-[1-(furan-3-yl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine (PubChem CID 103559312) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is N-[1-(furan-3-yl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(furan-3-yl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine
PubChem CID103559312
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC NameN-[1-(furan-3-yl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine
SMILESCCCNC(CC1(OC)CCC1)c1ccoc1
InChIInChI=1S/C14H23NO2/c1-3-8-15-13(12-5-9-17-11-12)10-14(16-2)6-4-7-14/h5,9,11,13,15H,3-4,6-8,10H2,1-2H3
InChIKeyQPQSVUSDVJOIKE-UHFFFAOYSA-N
XLogP3.28
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-3-yl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(furan-3-yl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine (CID 103559312) is N-[1-(furan-3-yl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(furan-3-yl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(furan-3-yl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine is CCCNC(CC1(OC)CCC1)c1ccoc1.
What is the InChIKey of N-[1-(furan-3-yl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine?
The InChIKey is QPQSVUSDVJOIKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-3-8-15-13(12-5-9-17-11-12)10-14(16-2)6-4-7-14/h5,9,11,13,15H,3-4,6-8,10H2,1-2H3.
What are the key properties of N-[1-(furan-3-yl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine?
N-[1-(furan-3-yl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine has a molecular weight of 237.34 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-3-yl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine is sourced from PubChem (CID 103559312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).