N-[(3-aminocyclohexyl)methyl]-5-methylfuran-2-carboxamide

C13H20N2O2 — CID 106123256

IUPACN-[(3-aminocyclohexyl)methyl]-5-methylfuran-2-carboxamide
SMILESCc1ccc(C(=O)NCC2CCCC(N)C2)o1
InChIInChI=1S/C13H20N2O2/c1-9-5-6-12(17-9)13(16)15-8-10-3-2-4-11(14)7-10/h5-6,10-11H,2-4,7-8,14H2,1H3,(H,15,16)
InChIKeyDKYBGIRWHPFATC-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.84
Rot. Bonds3

About N-[(3-aminocyclohexyl)methyl]-5-methylfuran-2-carboxamide

N-[(3-aminocyclohexyl)methyl]-5-methylfuran-2-carboxamide (PubChem CID 106123256) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is N-[(3-aminocyclohexyl)methyl]-5-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[(3-aminocyclohexyl)methyl]-5-methylfuran-2-carboxamide
PubChem CID106123256
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC NameN-[(3-aminocyclohexyl)methyl]-5-methylfuran-2-carboxamide
SMILESCc1ccc(C(=O)NCC2CCCC(N)C2)o1
InChIInChI=1S/C13H20N2O2/c1-9-5-6-12(17-9)13(16)15-8-10-3-2-4-11(14)7-10/h5-6,10-11H,2-4,7-8,14H2,1H3,(H,15,16)
InChIKeyDKYBGIRWHPFATC-UHFFFAOYSA-N
XLogP1.84
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-aminocyclohexyl)methyl]-2,4,6-trimethylbenzamide
CID 106123345
N-[(3-aminocyclohexyl)methyl]-3-hydroxy-2-methylbenzamide
CID 106123416
5-(aminomethyl)-N-[(3-methylcyclohexyl)methyl]furan-2-carboxamide
CID 103809834
N-[(3-aminocyclohexyl)methyl]-2-hydroxy-5-methylbenzamide
CID 106123350
N-[(3-aminocyclohexyl)methyl]-4-ethoxybenzamide
CID 106123228
N-[(3-bromocyclohexyl)methyl]-5-ethylfuran-2-carboxamide
CID 106133052
N-[(3-aminocyclohexyl)methyl]-2-(2,5-dimethylphenyl)acetamide
CID 106123913
N-[(3-aminocyclohexyl)methyl]-2,4-dimethoxybenzamide
CID 106123339
N-[(3-aminocyclohexyl)methyl]-2,3-difluorobenzamide
CID 106123375
N-[(3-aminocyclohexyl)methyl]naphthalene-1-carboxamide
CID 106123070
N-[(3-aminocyclohexyl)methyl]-2-fluoro-4-methoxybenzamide
CID 106123955
N-[(3-aminocyclohexyl)methyl]-2,4,6-trifluorobenzamide
CID 106123128

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminocyclohexyl)methyl]-5-methylfuran-2-carboxamide?
The IUPAC name of N-[(3-aminocyclohexyl)methyl]-5-methylfuran-2-carboxamide (CID 106123256) is N-[(3-aminocyclohexyl)methyl]-5-methylfuran-2-carboxamide.
What is the SMILES notation for N-[(3-aminocyclohexyl)methyl]-5-methylfuran-2-carboxamide?
The canonical SMILES for N-[(3-aminocyclohexyl)methyl]-5-methylfuran-2-carboxamide is Cc1ccc(C(=O)NCC2CCCC(N)C2)o1.
What is the InChIKey of N-[(3-aminocyclohexyl)methyl]-5-methylfuran-2-carboxamide?
The InChIKey is DKYBGIRWHPFATC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-9-5-6-12(17-9)13(16)15-8-10-3-2-4-11(14)7-10/h5-6,10-11H,2-4,7-8,14H2,1H3,(H,15,16).
What are the key properties of N-[(3-aminocyclohexyl)methyl]-5-methylfuran-2-carboxamide?
N-[(3-aminocyclohexyl)methyl]-5-methylfuran-2-carboxamide has a molecular weight of 236.31 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminocyclohexyl)methyl]-5-methylfuran-2-carboxamide is sourced from PubChem (CID 106123256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).