5-(aminomethyl)-N-[(3-methylcyclohexyl)methyl]furan-2-carboxamide

C14H22N2O2 — CID 103809834

IUPAC5-(aminomethyl)-N-[(3-methylcyclohexyl)methyl]furan-2-carboxamide
SMILESCC1CCCC(CNC(=O)c2ccc(CN)o2)C1
InChIInChI=1S/C14H22N2O2/c1-10-3-2-4-11(7-10)9-16-14(17)13-6-5-12(8-15)18-13/h5-6,10-11H,2-4,7-9,15H2,1H3,(H,16,17)
InChIKeySRLAUCFSUFNFQT-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.29
Rot. Bonds4

About 5-(aminomethyl)-N-[(3-methylcyclohexyl)methyl]furan-2-carboxamide

5-(aminomethyl)-N-[(3-methylcyclohexyl)methyl]furan-2-carboxamide (PubChem CID 103809834) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 5-(aminomethyl)-N-[(3-methylcyclohexyl)methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-[(3-methylcyclohexyl)methyl]furan-2-carboxamide
PubChem CID103809834
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name5-(aminomethyl)-N-[(3-methylcyclohexyl)methyl]furan-2-carboxamide
SMILESCC1CCCC(CNC(=O)c2ccc(CN)o2)C1
InChIInChI=1S/C14H22N2O2/c1-10-3-2-4-11(7-10)9-16-14(17)13-6-5-12(8-15)18-13/h5-6,10-11H,2-4,7-9,15H2,1H3,(H,16,17)
InChIKeySRLAUCFSUFNFQT-UHFFFAOYSA-N
XLogP2.29
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 ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-bromocyclohexyl)methyl]-5-ethylfuran-2-carboxamide
CID 106133052
5-chloro-N-[(3-methylcyclopentyl)methyl]furan-2-carboxamide
CID 107413499
5-(aminomethyl)-N-(2,6-dimethylpiperidin-1-yl)furan-2-carboxamide
CID 83021104
N-[(3-aminocyclohexyl)methyl]-5-methylfuran-2-carboxamide
CID 106123256
1-amino-N-[(3-methylcyclohexyl)methyl]cyclopropane-1-carboxamide
CID 103809810
5-(aminomethyl)-N-cyclopentyloxyfuran-2-carboxamide
CID 83236233
1-(aminomethyl)-N-[(3-methylcyclohexyl)methyl]cyclopentane-1-carboxamide
CID 103809820
2,3-dihydroxy-N-[(3-methylcyclohexyl)methyl]benzamide
CID 107303203
4-amino-5-methyl-N-[(3-methylcyclohexyl)methyl]thiophene-2-carboxamide
CID 114129368
5-[(3-methylcyclohexyl)oxymethyl]furan-2-carbohydrazide
CID 55213213
5-(aminomethyl)-N-(2-cyclopropylpropan-2-yl)furan-2-carboxamide
CID 103809618
6-amino-N-[(3-methylcyclohexyl)methyl]pyridine-2-carboxamide
CID 103832143

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-[(3-methylcyclohexyl)methyl]furan-2-carboxamide?
The IUPAC name of 5-(aminomethyl)-N-[(3-methylcyclohexyl)methyl]furan-2-carboxamide (CID 103809834) is 5-(aminomethyl)-N-[(3-methylcyclohexyl)methyl]furan-2-carboxamide.
What is the SMILES notation for 5-(aminomethyl)-N-[(3-methylcyclohexyl)methyl]furan-2-carboxamide?
The canonical SMILES for 5-(aminomethyl)-N-[(3-methylcyclohexyl)methyl]furan-2-carboxamide is CC1CCCC(CNC(=O)c2ccc(CN)o2)C1.
What is the InChIKey of 5-(aminomethyl)-N-[(3-methylcyclohexyl)methyl]furan-2-carboxamide?
The InChIKey is SRLAUCFSUFNFQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-10-3-2-4-11(7-10)9-16-14(17)13-6-5-12(8-15)18-13/h5-6,10-11H,2-4,7-9,15H2,1H3,(H,16,17).
What are the key properties of 5-(aminomethyl)-N-[(3-methylcyclohexyl)methyl]furan-2-carboxamide?
5-(aminomethyl)-N-[(3-methylcyclohexyl)methyl]furan-2-carboxamide has a molecular weight of 250.34 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-[(3-methylcyclohexyl)methyl]furan-2-carboxamide is sourced from PubChem (CID 103809834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).