3-[5-[5-[5-(3-aminopropyl)furan-2-yl]furan-2-yl]furan-2-yl]propan-1-amine

C18H22N2O3 — CID 170868210

IUPAC3-[5-[5-[5-(3-aminopropyl)furan-2-yl]furan-2-yl]furan-2-yl]propan-1-amine
SMILESNCCCc1ccc(-c2ccc(-c3ccc(CCCN)o3)o2)o1
InChIInChI=1S/C18H22N2O3/c19-11-1-3-13-5-7-15(21-13)17-9-10-18(23-17)16-8-6-14(22-16)4-2-12-20/h5-10H,1-4,11-12,19-20H2
InChIKeyXWKMCZSGOUATRB-UHFFFAOYSA-N
MW314.39 g/mol
LogP3.58
Rot. Bonds8

About 3-[5-[5-[5-(3-aminopropyl)furan-2-yl]furan-2-yl]furan-2-yl]propan-1-amine

3-[5-[5-[5-(3-aminopropyl)furan-2-yl]furan-2-yl]furan-2-yl]propan-1-amine (PubChem CID 170868210) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is 3-[5-[5-[5-(3-aminopropyl)furan-2-yl]furan-2-yl]furan-2-yl]propan-1-amine.

Molecular Properties

Compound Name3-[5-[5-[5-(3-aminopropyl)furan-2-yl]furan-2-yl]furan-2-yl]propan-1-amine
PubChem CID170868210
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC Name3-[5-[5-[5-(3-aminopropyl)furan-2-yl]furan-2-yl]furan-2-yl]propan-1-amine
SMILESNCCCc1ccc(-c2ccc(-c3ccc(CCCN)o3)o2)o1
InChIInChI=1S/C18H22N2O3/c19-11-1-3-13-5-7-15(21-13)17-9-10-18(23-17)16-8-6-14(22-16)4-2-12-20/h5-10H,1-4,11-12,19-20H2
InChIKeyXWKMCZSGOUATRB-UHFFFAOYSA-N
XLogP3.58
TPSA91.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[5-(4-bromophenyl)furan-2-yl]propan-1-amine
CID 170878277
3-[5-(2-chlorophenyl)furan-2-yl]propan-1-amine
CID 170878490
3-[5-(2-nitrophenyl)furan-2-yl]propan-1-amine
CID 170878491
2-[5-(2-fluorophenyl)furan-2-yl]ethanamine
CID 54775832
2-cyclopenta[b]pyran-2-ylethanamine
CID 57356023
2-[5-(2-bromophenyl)furan-2-yl]ethanamine
CID 170869026
3-[5-(4-chlorophenyl)furan-2-yl]propan-1-ol
CID 170887546
2-[[5-(3-aminopropyl)furan-2-yl]methyl]isoindole-1,3-dione
CID 170878360
3-[[5-(4-chlorophenyl)furan-2-yl]methoxy]propan-1-amine
CID 112519724
3-[5-[(6-bromonaphthalen-2-yl)oxymethyl]furan-2-yl]propan-1-amine
CID 170878748
3-[5-[(3-chloro-2-methylphenoxy)methyl]furan-2-yl]propan-1-amine
CID 170878777
2-butyl-5-(4-methylphenyl)furan
CID 86258788

Frequently Asked Questions

What is the IUPAC name of 3-[5-[5-[5-(3-aminopropyl)furan-2-yl]furan-2-yl]furan-2-yl]propan-1-amine?
The IUPAC name of 3-[5-[5-[5-(3-aminopropyl)furan-2-yl]furan-2-yl]furan-2-yl]propan-1-amine (CID 170868210) is 3-[5-[5-[5-(3-aminopropyl)furan-2-yl]furan-2-yl]furan-2-yl]propan-1-amine.
What is the SMILES notation for 3-[5-[5-[5-(3-aminopropyl)furan-2-yl]furan-2-yl]furan-2-yl]propan-1-amine?
The canonical SMILES for 3-[5-[5-[5-(3-aminopropyl)furan-2-yl]furan-2-yl]furan-2-yl]propan-1-amine is NCCCc1ccc(-c2ccc(-c3ccc(CCCN)o3)o2)o1.
What is the InChIKey of 3-[5-[5-[5-(3-aminopropyl)furan-2-yl]furan-2-yl]furan-2-yl]propan-1-amine?
The InChIKey is XWKMCZSGOUATRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c19-11-1-3-13-5-7-15(21-13)17-9-10-18(23-17)16-8-6-14(22-16)4-2-12-20/h5-10H,1-4,11-12,19-20H2.
What are the key properties of 3-[5-[5-[5-(3-aminopropyl)furan-2-yl]furan-2-yl]furan-2-yl]propan-1-amine?
3-[5-[5-[5-(3-aminopropyl)furan-2-yl]furan-2-yl]furan-2-yl]propan-1-amine has a molecular weight of 314.39 g/mol, XLogP of 3.58, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[5-[5-(3-aminopropyl)furan-2-yl]furan-2-yl]furan-2-yl]propan-1-amine is sourced from PubChem (CID 170868210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).