N-[(4-aminocyclohexyl)methyl]-2,5-dimethylfuran-3-carboxamide

C14H22N2O2 — CID 106124578

IUPACN-[(4-aminocyclohexyl)methyl]-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)NCC2CCC(N)CC2)c(C)o1
InChIInChI=1S/C14H22N2O2/c1-9-7-13(10(2)18-9)14(17)16-8-11-3-5-12(15)6-4-11/h7,11-12H,3-6,8,15H2,1-2H3,(H,16,17)
InChIKeyZIDNWILBSWQGCX-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.14
Rot. Bonds3

About N-[(4-aminocyclohexyl)methyl]-2,5-dimethylfuran-3-carboxamide

N-[(4-aminocyclohexyl)methyl]-2,5-dimethylfuran-3-carboxamide (PubChem CID 106124578) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-[(4-aminocyclohexyl)methyl]-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[(4-aminocyclohexyl)methyl]-2,5-dimethylfuran-3-carboxamide
PubChem CID106124578
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-[(4-aminocyclohexyl)methyl]-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)NCC2CCC(N)CC2)c(C)o1
InChIInChI=1S/C14H22N2O2/c1-9-7-13(10(2)18-9)14(17)16-8-11-3-5-12(15)6-4-11/h7,11-12H,3-6,8,15H2,1-2H3,(H,16,17)
InChIKeyZIDNWILBSWQGCX-UHFFFAOYSA-N
XLogP2.14
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dimethyl-N-(piperidin-4-ylmethyl)furan-3-carboxamide
CID 60725294
N-[(3-bromocyclopentyl)methyl]-2,5-dimethylfuran-3-carboxamide
CID 106128022
N-[(4-aminocyclohexyl)methyl]-2-hydroxy-5-methylbenzamide
CID 106124287
N-[(4-aminocyclohexyl)methyl]-2-hydroxy-3-methylbenzamide
CID 106124188
N-(3-cyclohexylpropyl)-2,5-dimethylfuran-3-carboxamide
CID 78866046
N-[(4-aminocyclohexyl)methyl]-2-hydroxy-5-methoxybenzamide
CID 106124081
N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-2,5-dimethylfuran-3-carboxamide
CID 52907034
cyclohexanamine;2,5-dimethylfuran-3-carboxylic acid
CID 172801054
N-(2-amino-2-sulfanylideneethyl)-2,5-dimethylfuran-3-carboxamide
CID 61127079
N-methoxy-2,5-dimethylfuran-3-carboxamide
CID 60716938
N-[[1-[2-(4-fluorophenyl)-2-hydroxyacetyl]piperidin-4-yl]methyl]-2,5-dimethylfuran-3-carboxamide
CID 131938017
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,5-dimethylfuran-3-carboxamide
CID 103762598

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminocyclohexyl)methyl]-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-[(4-aminocyclohexyl)methyl]-2,5-dimethylfuran-3-carboxamide (CID 106124578) is N-[(4-aminocyclohexyl)methyl]-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-[(4-aminocyclohexyl)methyl]-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-[(4-aminocyclohexyl)methyl]-2,5-dimethylfuran-3-carboxamide is Cc1cc(C(=O)NCC2CCC(N)CC2)c(C)o1.
What is the InChIKey of N-[(4-aminocyclohexyl)methyl]-2,5-dimethylfuran-3-carboxamide?
The InChIKey is ZIDNWILBSWQGCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-9-7-13(10(2)18-9)14(17)16-8-11-3-5-12(15)6-4-11/h7,11-12H,3-6,8,15H2,1-2H3,(H,16,17).
What are the key properties of N-[(4-aminocyclohexyl)methyl]-2,5-dimethylfuran-3-carboxamide?
N-[(4-aminocyclohexyl)methyl]-2,5-dimethylfuran-3-carboxamide has a molecular weight of 250.34 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminocyclohexyl)methyl]-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 106124578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).