N-methyl-N-[[2-methyl-5-(methylaminomethyl)furan-3-yl]methyl]cycloheptanamine

C16H28N2O — CID 62431880

IUPACN-methyl-N-[[2-methyl-5-(methylaminomethyl)furan-3-yl]methyl]cycloheptanamine
SMILESCNCc1cc(CN(C)C2CCCCCC2)c(C)o1
InChIInChI=1S/C16H28N2O/c1-13-14(10-16(19-13)11-17-2)12-18(3)15-8-6-4-5-7-9-15/h10,15,17H,4-9,11-12H2,1-3H3
InChIKeyQWMFZUZPSOZWMN-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.46
Rot. Bonds5

About N-methyl-N-[[2-methyl-5-(methylaminomethyl)furan-3-yl]methyl]cycloheptanamine

N-methyl-N-[[2-methyl-5-(methylaminomethyl)furan-3-yl]methyl]cycloheptanamine (PubChem CID 62431880) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is N-methyl-N-[[2-methyl-5-(methylaminomethyl)furan-3-yl]methyl]cycloheptanamine.

Molecular Properties

Compound NameN-methyl-N-[[2-methyl-5-(methylaminomethyl)furan-3-yl]methyl]cycloheptanamine
PubChem CID62431880
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC NameN-methyl-N-[[2-methyl-5-(methylaminomethyl)furan-3-yl]methyl]cycloheptanamine
SMILESCNCc1cc(CN(C)C2CCCCCC2)c(C)o1
InChIInChI=1S/C16H28N2O/c1-13-14(10-16(19-13)11-17-2)12-18(3)15-8-6-4-5-7-9-15/h10,15,17H,4-9,11-12H2,1-3H3
InChIKeyQWMFZUZPSOZWMN-UHFFFAOYSA-N
XLogP3.46
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[[2-methyl-5-(methylaminomethyl)furan-3-yl]methyl]cyclohexanamine
CID 62425372
N-[[5-(ethylaminomethyl)-2-methylfuran-3-yl]methyl]-N-methylcycloheptanamine
CID 62431881
N-methyl-N-[[2-methyl-5-(propylaminomethyl)furan-3-yl]methyl]cycloheptanamine
CID 62434059
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-methyl-N-[[2-methyl-5-(propylaminomethyl)furan-3-yl]methyl]cyclopentanamine
CID 62419092
N-methyl-N-[[5-methyl-4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]cycloheptanamine
CID 62433864
N-[[4-(aminomethyl)-5-methylfuran-2-yl]methyl]-N-methylcyclohexanamine
CID 62424073
N-[[4-(aminomethyl)-5-methylfuran-2-yl]methyl]-N-methylcycloheptanamine
CID 55073900
N-methyl-N-[[2-methyl-5-[(propan-2-ylamino)methyl]furan-3-yl]methyl]oxan-4-amine
CID 62431851
N-methyl-N-[[5-(methylaminomethyl)furan-2-yl]methyl]cyclopentanamine
CID 62418314
1-cyclopropyl-N-methyl-N-[[2-methyl-5-(methylaminomethyl)furan-3-yl]methyl]methanamine
CID 62427462

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[2-methyl-5-(methylaminomethyl)furan-3-yl]methyl]cycloheptanamine?
The IUPAC name of N-methyl-N-[[2-methyl-5-(methylaminomethyl)furan-3-yl]methyl]cycloheptanamine (CID 62431880) is N-methyl-N-[[2-methyl-5-(methylaminomethyl)furan-3-yl]methyl]cycloheptanamine.
What is the SMILES notation for N-methyl-N-[[2-methyl-5-(methylaminomethyl)furan-3-yl]methyl]cycloheptanamine?
The canonical SMILES for N-methyl-N-[[2-methyl-5-(methylaminomethyl)furan-3-yl]methyl]cycloheptanamine is CNCc1cc(CN(C)C2CCCCCC2)c(C)o1.
What is the InChIKey of N-methyl-N-[[2-methyl-5-(methylaminomethyl)furan-3-yl]methyl]cycloheptanamine?
The InChIKey is QWMFZUZPSOZWMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-13-14(10-16(19-13)11-17-2)12-18(3)15-8-6-4-5-7-9-15/h10,15,17H,4-9,11-12H2,1-3H3.
What are the key properties of N-methyl-N-[[2-methyl-5-(methylaminomethyl)furan-3-yl]methyl]cycloheptanamine?
N-methyl-N-[[2-methyl-5-(methylaminomethyl)furan-3-yl]methyl]cycloheptanamine has a molecular weight of 264.41 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[2-methyl-5-(methylaminomethyl)furan-3-yl]methyl]cycloheptanamine is sourced from PubChem (CID 62431880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).