N-[(3-ethylthiophen-2-yl)methyl]-1-(3-methylfuran-2-yl)methanamine

C13H17NOS — CID 115690026

IUPACN-[(3-ethylthiophen-2-yl)methyl]-1-(3-methylfuran-2-yl)methanamine
SMILESCCc1ccsc1CNCc1occc1C
InChIInChI=1S/C13H17NOS/c1-3-11-5-7-16-13(11)9-14-8-12-10(2)4-6-15-12/h4-7,14H,3,8-9H2,1-2H3
InChIKeyNOLHCSZRJDCEIK-UHFFFAOYSA-N
MW235.35 g/mol
LogP3.50
Rot. Bonds5

About N-[(3-ethylthiophen-2-yl)methyl]-1-(3-methylfuran-2-yl)methanamine

N-[(3-ethylthiophen-2-yl)methyl]-1-(3-methylfuran-2-yl)methanamine (PubChem CID 115690026) has the molecular formula C13H17NOS and a molecular weight of 235.35 g/mol. Its IUPAC name is N-[(3-ethylthiophen-2-yl)methyl]-1-(3-methylfuran-2-yl)methanamine.

Molecular Properties

Compound NameN-[(3-ethylthiophen-2-yl)methyl]-1-(3-methylfuran-2-yl)methanamine
PubChem CID115690026
Molecular FormulaC13H17NOS
Molecular Weight235.35 g/mol
Exact Mass235.10
IUPAC NameN-[(3-ethylthiophen-2-yl)methyl]-1-(3-methylfuran-2-yl)methanamine
SMILESCCc1ccsc1CNCc1occc1C
InChIInChI=1S/C13H17NOS/c1-3-11-5-7-16-13(11)9-14-8-12-10(2)4-6-15-12/h4-7,14H,3,8-9H2,1-2H3
InChIKeyNOLHCSZRJDCEIK-UHFFFAOYSA-N
XLogP3.50
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-ethylthiophen-2-yl)methyl]-1-(3-methylfuran-2-yl)methanamine?
The IUPAC name of N-[(3-ethylthiophen-2-yl)methyl]-1-(3-methylfuran-2-yl)methanamine (CID 115690026) is N-[(3-ethylthiophen-2-yl)methyl]-1-(3-methylfuran-2-yl)methanamine.
What is the SMILES notation for N-[(3-ethylthiophen-2-yl)methyl]-1-(3-methylfuran-2-yl)methanamine?
The canonical SMILES for N-[(3-ethylthiophen-2-yl)methyl]-1-(3-methylfuran-2-yl)methanamine is CCc1ccsc1CNCc1occc1C.
What is the InChIKey of N-[(3-ethylthiophen-2-yl)methyl]-1-(3-methylfuran-2-yl)methanamine?
The InChIKey is NOLHCSZRJDCEIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NOS/c1-3-11-5-7-16-13(11)9-14-8-12-10(2)4-6-15-12/h4-7,14H,3,8-9H2,1-2H3.
What are the key properties of N-[(3-ethylthiophen-2-yl)methyl]-1-(3-methylfuran-2-yl)methanamine?
N-[(3-ethylthiophen-2-yl)methyl]-1-(3-methylfuran-2-yl)methanamine has a molecular weight of 235.35 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethylthiophen-2-yl)methyl]-1-(3-methylfuran-2-yl)methanamine is sourced from PubChem (CID 115690026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).