N-[2-(aminomethyl)-2-ethylbutyl]-2-ethylfuran-3-carboxamide

C14H24N2O2 — CID 114164084

IUPACN-[2-(aminomethyl)-2-ethylbutyl]-2-ethylfuran-3-carboxamide
SMILESCCc1occc1C(=O)NCC(CC)(CC)CN
InChIInChI=1S/C14H24N2O2/c1-4-12-11(7-8-18-12)13(17)16-10-14(5-2,6-3)9-15/h7-8H,4-6,9-10,15H2,1-3H3,(H,16,17)
InChIKeyVJOSXRNZUPCFSI-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.34
Rot. Bonds7

About N-[2-(aminomethyl)-2-ethylbutyl]-2-ethylfuran-3-carboxamide

N-[2-(aminomethyl)-2-ethylbutyl]-2-ethylfuran-3-carboxamide (PubChem CID 114164084) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is N-[2-(aminomethyl)-2-ethylbutyl]-2-ethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)-2-ethylbutyl]-2-ethylfuran-3-carboxamide
PubChem CID114164084
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC NameN-[2-(aminomethyl)-2-ethylbutyl]-2-ethylfuran-3-carboxamide
SMILESCCc1occc1C(=O)NCC(CC)(CC)CN
InChIInChI=1S/C14H24N2O2/c1-4-12-11(7-8-18-12)13(17)16-10-14(5-2,6-3)9-15/h7-8H,4-6,9-10,15H2,1-3H3,(H,16,17)
InChIKeyVJOSXRNZUPCFSI-UHFFFAOYSA-N
XLogP2.34
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)-2-ethylbutyl]-2-ethylfuran-3-carboxamide?
The IUPAC name of N-[2-(aminomethyl)-2-ethylbutyl]-2-ethylfuran-3-carboxamide (CID 114164084) is N-[2-(aminomethyl)-2-ethylbutyl]-2-ethylfuran-3-carboxamide.
What is the SMILES notation for N-[2-(aminomethyl)-2-ethylbutyl]-2-ethylfuran-3-carboxamide?
The canonical SMILES for N-[2-(aminomethyl)-2-ethylbutyl]-2-ethylfuran-3-carboxamide is CCc1occc1C(=O)NCC(CC)(CC)CN.
What is the InChIKey of N-[2-(aminomethyl)-2-ethylbutyl]-2-ethylfuran-3-carboxamide?
The InChIKey is VJOSXRNZUPCFSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-4-12-11(7-8-18-12)13(17)16-10-14(5-2,6-3)9-15/h7-8H,4-6,9-10,15H2,1-3H3,(H,16,17).
What are the key properties of N-[2-(aminomethyl)-2-ethylbutyl]-2-ethylfuran-3-carboxamide?
N-[2-(aminomethyl)-2-ethylbutyl]-2-ethylfuran-3-carboxamide has a molecular weight of 252.36 g/mol, XLogP of 2.34, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)-2-ethylbutyl]-2-ethylfuran-3-carboxamide is sourced from PubChem (CID 114164084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).