N-[[5-(aminomethyl)-4-methylfuran-2-yl]methyl]-N-ethylcyclohexanamine

C15H26N2O — CID 62423925

IUPACN-[[5-(aminomethyl)-4-methylfuran-2-yl]methyl]-N-ethylcyclohexanamine
SMILESCCN(Cc1cc(C)c(CN)o1)C1CCCCC1
InChIInChI=1S/C15H26N2O/c1-3-17(13-7-5-4-6-8-13)11-14-9-12(2)15(10-16)18-14/h9,13H,3-8,10-11,16H2,1-2H3
InChIKeyHOGHPESVHZNUMR-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.20
Rot. Bonds5

About N-[[5-(aminomethyl)-4-methylfuran-2-yl]methyl]-N-ethylcyclohexanamine

N-[[5-(aminomethyl)-4-methylfuran-2-yl]methyl]-N-ethylcyclohexanamine (PubChem CID 62423925) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is N-[[5-(aminomethyl)-4-methylfuran-2-yl]methyl]-N-ethylcyclohexanamine.

Molecular Properties

Compound NameN-[[5-(aminomethyl)-4-methylfuran-2-yl]methyl]-N-ethylcyclohexanamine
PubChem CID62423925
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC NameN-[[5-(aminomethyl)-4-methylfuran-2-yl]methyl]-N-ethylcyclohexanamine
SMILESCCN(Cc1cc(C)c(CN)o1)C1CCCCC1
InChIInChI=1S/C15H26N2O/c1-3-17(13-7-5-4-6-8-13)11-14-9-12(2)15(10-16)18-14/h9,13H,3-8,10-11,16H2,1-2H3
InChIKeyHOGHPESVHZNUMR-UHFFFAOYSA-N
XLogP3.20
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-(aminomethyl)-4-methylfuran-2-yl]methyl]-N-propylcyclopropanamine
CID 62422353
N-ethyl-N-[[4-methyl-5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]cyclohexanamine
CID 62425039
N-[[5-(aminomethyl)-4-methylfuran-2-yl]methyl]-1-cyclobutyl-N-methylmethanamine
CID 62856054
N-[[5-(aminomethyl)-4-methylfuran-2-yl]methyl]-1-ethyl-N-methylpiperidin-4-amine
CID 62436351
N-ethyl-N-[[4-(ethylaminomethyl)-5-methylfuran-2-yl]methyl]cyclohexanamine
CID 62424477
N-methyl-N-[[4-methyl-5-(methylaminomethyl)furan-2-yl]methyl]cyclohexanamine
CID 62424078
N-[[3-(aminomethyl)-1,2-oxazol-5-yl]methyl]-N-ethylcyclopropanamine
CID 62422956
4-[[cyclohexyl(ethyl)amino]methyl]-2,6-dimethylphenol
CID 78907248
N-ethyl-N-[[3-[(propan-2-ylamino)methyl]-1,2-oxazol-5-yl]methyl]cyclohexanamine
CID 62423206
N-[[3-(aminomethyl)-4-fluorophenyl]methyl]-N-ethylcyclohexanamine
CID 107878018
N-[[4-(aminomethyl)-5-methylfuran-2-yl]methyl]-N-methylcyclohexanamine
CID 62424073
N-[[4-(aminomethyl)-5-methylfuran-2-yl]methyl]-N-methylcycloheptanamine
CID 55073900

Frequently Asked Questions

What is the IUPAC name of N-[[5-(aminomethyl)-4-methylfuran-2-yl]methyl]-N-ethylcyclohexanamine?
The IUPAC name of N-[[5-(aminomethyl)-4-methylfuran-2-yl]methyl]-N-ethylcyclohexanamine (CID 62423925) is N-[[5-(aminomethyl)-4-methylfuran-2-yl]methyl]-N-ethylcyclohexanamine.
What is the SMILES notation for N-[[5-(aminomethyl)-4-methylfuran-2-yl]methyl]-N-ethylcyclohexanamine?
The canonical SMILES for N-[[5-(aminomethyl)-4-methylfuran-2-yl]methyl]-N-ethylcyclohexanamine is CCN(Cc1cc(C)c(CN)o1)C1CCCCC1.
What is the InChIKey of N-[[5-(aminomethyl)-4-methylfuran-2-yl]methyl]-N-ethylcyclohexanamine?
The InChIKey is HOGHPESVHZNUMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-3-17(13-7-5-4-6-8-13)11-14-9-12(2)15(10-16)18-14/h9,13H,3-8,10-11,16H2,1-2H3.
What are the key properties of N-[[5-(aminomethyl)-4-methylfuran-2-yl]methyl]-N-ethylcyclohexanamine?
N-[[5-(aminomethyl)-4-methylfuran-2-yl]methyl]-N-ethylcyclohexanamine has a molecular weight of 250.39 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(aminomethyl)-4-methylfuran-2-yl]methyl]-N-ethylcyclohexanamine is sourced from PubChem (CID 62423925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).