N-[[1-(aminomethyl)cyclopentyl]methyl]-2,5-dimethylfuran-3-carboxamide

C14H22N2O2 — CID 113295147

IUPACN-[[1-(aminomethyl)cyclopentyl]methyl]-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)NCC2(CN)CCCC2)c(C)o1
InChIInChI=1S/C14H22N2O2/c1-10-7-12(11(2)18-10)13(17)16-9-14(8-15)5-3-4-6-14/h7H,3-6,8-9,15H2,1-2H3,(H,16,17)
InChIKeyQJPRQBJUVJDMRT-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.15
Rot. Bonds4

About N-[[1-(aminomethyl)cyclopentyl]methyl]-2,5-dimethylfuran-3-carboxamide

N-[[1-(aminomethyl)cyclopentyl]methyl]-2,5-dimethylfuran-3-carboxamide (PubChem CID 113295147) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclopentyl]methyl]-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclopentyl]methyl]-2,5-dimethylfuran-3-carboxamide
PubChem CID113295147
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-[[1-(aminomethyl)cyclopentyl]methyl]-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)NCC2(CN)CCCC2)c(C)o1
InChIInChI=1S/C14H22N2O2/c1-10-7-12(11(2)18-10)13(17)16-9-14(8-15)5-3-4-6-14/h7H,3-6,8-9,15H2,1-2H3,(H,16,17)
InChIKeyQJPRQBJUVJDMRT-UHFFFAOYSA-N
XLogP2.15
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(2-hydroxyethoxy)cyclopentyl]methyl]-2,5-dimethylfuran-3-carboxamide
CID 131702306
N-[[1-(aminomethyl)cyclohexyl]methyl]-2-hydroxy-5-methylbenzamide
CID 103970199
N-[2-(aminomethyl)-2-ethylbutyl]-2,5-dimethylfuran-3-carboxamide
CID 106250540
N-[[1-(aminomethyl)cyclohexyl]methyl]-4-fluoro-2-hydroxybenzamide
CID 107017112
N-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-2,5-dimethylfuran-3-carboxamide
CID 95983066
N-(1-carbamothioylcyclopentyl)-2,5-dimethylfuran-3-carboxamide
CID 61119528
N-(2-amino-2-sulfanylideneethyl)-2,5-dimethylfuran-3-carboxamide
CID 61127079
N-[(4-aminocyclohexyl)methyl]-2,5-dimethylfuran-3-carboxamide
CID 106124578
N'-[2-(1-hydroxycyclopentyl)acetyl]-2,5-dimethylfuran-3-carbohydrazide
CID 111536311
N-[[1-(aminomethyl)cyclopentyl]methyl]-3-hydroxy-4-methylbenzamide
CID 115365565
N-[[1-(aminomethyl)cyclopentyl]methyl]-2-tert-butylbenzamide
CID 115365396
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-fluoro-4-methylbenzamide
CID 115456835

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclopentyl]methyl]-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-[[1-(aminomethyl)cyclopentyl]methyl]-2,5-dimethylfuran-3-carboxamide (CID 113295147) is N-[[1-(aminomethyl)cyclopentyl]methyl]-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-[[1-(aminomethyl)cyclopentyl]methyl]-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-[[1-(aminomethyl)cyclopentyl]methyl]-2,5-dimethylfuran-3-carboxamide is Cc1cc(C(=O)NCC2(CN)CCCC2)c(C)o1.
What is the InChIKey of N-[[1-(aminomethyl)cyclopentyl]methyl]-2,5-dimethylfuran-3-carboxamide?
The InChIKey is QJPRQBJUVJDMRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-10-7-12(11(2)18-10)13(17)16-9-14(8-15)5-3-4-6-14/h7H,3-6,8-9,15H2,1-2H3,(H,16,17).
What are the key properties of N-[[1-(aminomethyl)cyclopentyl]methyl]-2,5-dimethylfuran-3-carboxamide?
N-[[1-(aminomethyl)cyclopentyl]methyl]-2,5-dimethylfuran-3-carboxamide has a molecular weight of 250.34 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclopentyl]methyl]-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 113295147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).