N-[[5-(ethylaminomethyl)-2-methylfuran-3-yl]methyl]-N-methylcycloheptanamine

C17H30N2O — CID 62431881

IUPACN-[[5-(ethylaminomethyl)-2-methylfuran-3-yl]methyl]-N-methylcycloheptanamine
SMILESCCNCc1cc(CN(C)C2CCCCCC2)c(C)o1
InChIInChI=1S/C17H30N2O/c1-4-18-12-17-11-15(14(2)20-17)13-19(3)16-9-7-5-6-8-10-16/h11,16,18H,4-10,12-13H2,1-3H3
InChIKeyGFCZBQJTXTVDLN-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.85
Rot. Bonds6

About N-[[5-(ethylaminomethyl)-2-methylfuran-3-yl]methyl]-N-methylcycloheptanamine

N-[[5-(ethylaminomethyl)-2-methylfuran-3-yl]methyl]-N-methylcycloheptanamine (PubChem CID 62431881) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is N-[[5-(ethylaminomethyl)-2-methylfuran-3-yl]methyl]-N-methylcycloheptanamine.

Molecular Properties

Compound NameN-[[5-(ethylaminomethyl)-2-methylfuran-3-yl]methyl]-N-methylcycloheptanamine
PubChem CID62431881
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC NameN-[[5-(ethylaminomethyl)-2-methylfuran-3-yl]methyl]-N-methylcycloheptanamine
SMILESCCNCc1cc(CN(C)C2CCCCCC2)c(C)o1
InChIInChI=1S/C17H30N2O/c1-4-18-12-17-11-15(14(2)20-17)13-19(3)16-9-7-5-6-8-10-16/h11,16,18H,4-10,12-13H2,1-3H3
InChIKeyGFCZBQJTXTVDLN-UHFFFAOYSA-N
XLogP3.85
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[[2-methyl-5-(propylaminomethyl)furan-3-yl]methyl]cycloheptanamine
CID 62434059
N-[[5-(ethylaminomethyl)-2-methylfuran-3-yl]methyl]-N-methyloxan-4-amine
CID 55073992
N-[[5-(ethylaminomethyl)-2-methylfuran-3-yl]methyl]-N,1-dimethylpiperidin-4-amine
CID 62425746
N-methyl-N-[[2-methyl-5-(propylaminomethyl)furan-3-yl]methyl]cyclopentanamine
CID 62419092
N-[[5-(ethylaminomethyl)-2-methylfuran-3-yl]methyl]-N,3-dimethylcyclohexan-1-amine
CID 62430229
N-methyl-N-[[2-methyl-5-(methylaminomethyl)furan-3-yl]methyl]cycloheptanamine
CID 62431880
N-methyl-N-[[2-methyl-5-(methylaminomethyl)furan-3-yl]methyl]cyclohexanamine
CID 62425372
N-[[5-[(tert-butylamino)methyl]-2-methylfuran-3-yl]methyl]-N-methylcyclopentanamine
CID 62419292
N-[[5-(aminomethyl)-2-methylfuran-3-yl]methyl]-N-methylcycloheptanamine
CID 62434217
N-[[5-(ethylaminomethyl)furan-2-yl]methyl]-N-methylcycloheptanamine
CID 62434036
N-methyl-N-[[5-methyl-4-(propylaminomethyl)furan-2-yl]methyl]cyclopentanamine
CID 62417950
N-ethyl-N-[[4-(ethylaminomethyl)-5-methylfuran-2-yl]methyl]cyclohexanamine
CID 62424477

Frequently Asked Questions

What is the IUPAC name of N-[[5-(ethylaminomethyl)-2-methylfuran-3-yl]methyl]-N-methylcycloheptanamine?
The IUPAC name of N-[[5-(ethylaminomethyl)-2-methylfuran-3-yl]methyl]-N-methylcycloheptanamine (CID 62431881) is N-[[5-(ethylaminomethyl)-2-methylfuran-3-yl]methyl]-N-methylcycloheptanamine.
What is the SMILES notation for N-[[5-(ethylaminomethyl)-2-methylfuran-3-yl]methyl]-N-methylcycloheptanamine?
The canonical SMILES for N-[[5-(ethylaminomethyl)-2-methylfuran-3-yl]methyl]-N-methylcycloheptanamine is CCNCc1cc(CN(C)C2CCCCCC2)c(C)o1.
What is the InChIKey of N-[[5-(ethylaminomethyl)-2-methylfuran-3-yl]methyl]-N-methylcycloheptanamine?
The InChIKey is GFCZBQJTXTVDLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-4-18-12-17-11-15(14(2)20-17)13-19(3)16-9-7-5-6-8-10-16/h11,16,18H,4-10,12-13H2,1-3H3.
What are the key properties of N-[[5-(ethylaminomethyl)-2-methylfuran-3-yl]methyl]-N-methylcycloheptanamine?
N-[[5-(ethylaminomethyl)-2-methylfuran-3-yl]methyl]-N-methylcycloheptanamine has a molecular weight of 278.44 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(ethylaminomethyl)-2-methylfuran-3-yl]methyl]-N-methylcycloheptanamine is sourced from PubChem (CID 62431881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).