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

C14H23NO2 — CID 116714803

IUPACN-[2-(furan-3-yl)-1-(1-methoxycyclobutyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccoc1)C1(OC)CCC1
InChIInChI=1S/C14H23NO2/c1-3-8-15-13(10-12-5-9-17-11-12)14(16-2)6-4-7-14/h5,9,11,13,15H,3-4,6-8,10H2,1-2H3
InChIKeyPVPFDEINFYWTJK-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.76
Rot. Bonds7

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

N-[2-(furan-3-yl)-1-(1-methoxycyclobutyl)ethyl]propan-1-amine (PubChem CID 116714803) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is N-[2-(furan-3-yl)-1-(1-methoxycyclobutyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(furan-3-yl)-1-(1-methoxycyclobutyl)ethyl]propan-1-amine
PubChem CID116714803
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC NameN-[2-(furan-3-yl)-1-(1-methoxycyclobutyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccoc1)C1(OC)CCC1
InChIInChI=1S/C14H23NO2/c1-3-8-15-13(10-12-5-9-17-11-12)14(16-2)6-4-7-14/h5,9,11,13,15H,3-4,6-8,10H2,1-2H3
InChIKeyPVPFDEINFYWTJK-UHFFFAOYSA-N
XLogP2.76
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 ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-(furan-3-yl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanamine
CID 116769580
N-[2-(furan-3-yl)-1-(1-methylcyclohexyl)ethyl]propan-1-amine
CID 106830512
N-[1-(1-methoxycyclohexyl)-2-phenylethyl]propan-1-amine
CID 116763351
N,N-diethyl-1-[2-(furan-3-yl)-1-(propylamino)ethyl]cyclopentan-1-amine
CID 83178392
N-[1-(1-methoxycyclobutyl)-2-(3-methoxyphenyl)ethyl]propan-1-amine
CID 116714829
N-[2-(3-bromophenyl)-1-(1-methoxycyclobutyl)ethyl]propan-1-amine
CID 116714808
N-[1-(1-methoxycyclopentyl)-2-thiophen-3-ylethyl]propan-1-amine
CID 104611504
N-[1-(1-methoxycyclohexyl)-2-thiophen-3-ylethyl]propan-1-amine
CID 116763428
N-[1-(1-methoxycyclobutyl)-2-(2-methylphenyl)ethyl]propan-1-amine
CID 116714965
N-[1-(1-methoxycycloheptyl)-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
CID 116770459
N-[2-(2,5-dimethylpyrazol-3-yl)-1-(1-methoxycyclobutyl)ethyl]propan-1-amine
CID 116714771
N-[2-(3-chlorophenyl)-1-(1-methoxycyclohexyl)ethyl]propan-1-amine
CID 116763420

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-3-yl)-1-(1-methoxycyclobutyl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(furan-3-yl)-1-(1-methoxycyclobutyl)ethyl]propan-1-amine (CID 116714803) is N-[2-(furan-3-yl)-1-(1-methoxycyclobutyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(furan-3-yl)-1-(1-methoxycyclobutyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(furan-3-yl)-1-(1-methoxycyclobutyl)ethyl]propan-1-amine is CCCNC(Cc1ccoc1)C1(OC)CCC1.
What is the InChIKey of N-[2-(furan-3-yl)-1-(1-methoxycyclobutyl)ethyl]propan-1-amine?
The InChIKey is PVPFDEINFYWTJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-3-8-15-13(10-12-5-9-17-11-12)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-[2-(furan-3-yl)-1-(1-methoxycyclobutyl)ethyl]propan-1-amine?
N-[2-(furan-3-yl)-1-(1-methoxycyclobutyl)ethyl]propan-1-amine has a molecular weight of 237.34 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-3-yl)-1-(1-methoxycyclobutyl)ethyl]propan-1-amine is sourced from PubChem (CID 116714803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).