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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Related Compounds

N-[(3Z)-3-amino-3-hydroxyimino-2,2-dimethylpropyl]-2-ethylfuran-3-carboxamide
CID 114103840
N-[2-(aminomethyl)-2-ethylbutyl]-2,5-dimethylfuran-3-carboxamide
CID 106250540
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-ethylfuran-3-carboxamide
CID 114103218
N-[2-(aminomethyl)-2-ethylbutyl]-2,6-dihydroxybenzamide
CID 106250427
N-[2-(aminomethyl)-2-ethylbutyl]-5-methylfuran-2-carboxamide
CID 106250802
N-[2-(aminomethyl)-2-ethylbutyl]-3-hydroxypyridine-4-carboxamide
CID 114164077
N-[2-(aminomethyl)-2-ethylbutyl]-4-methoxybenzamide
CID 106250544
N-(2-amino-2-ethylbutyl)-2-methylfuran-3-carboxamide;hydrochloride
CID 119640929
N-(4-chloropentyl)-2-ethylfuran-3-carboxamide
CID 106129706
N-[3-(2-bromoethoxy)propyl]-2-ethylfuran-3-carboxamide
CID 106307543
N-[2-(aminomethyl)-2-ethylbutyl]-1,3-dihydro-2-benzofuran-5-carboxamide
CID 106249948
N-[2-(aminomethyl)-2-ethylbutyl]-6-methylpyridine-3-carboxamide
CID 114164010

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).