2-methyl-N-[[2-methyl-5-(methylaminomethyl)furan-3-yl]methyl]-N-(2-methylpropyl)propan-1-amine

C16H30N2O — CID 62428024

IUPAC2-methyl-N-[[2-methyl-5-(methylaminomethyl)furan-3-yl]methyl]-N-(2-methylpropyl)propan-1-amine
SMILESCNCc1cc(CN(CC(C)C)CC(C)C)c(C)o1
InChIInChI=1S/C16H30N2O/c1-12(2)9-18(10-13(3)4)11-15-7-16(8-17-6)19-14(15)5/h7,12-13,17H,8-11H2,1-6H3
InChIKeyJNIGOOSOLZMLPI-UHFFFAOYSA-N
MW266.43 g/mol
LogP3.42
Rot. Bonds8

About 2-methyl-N-[[2-methyl-5-(methylaminomethyl)furan-3-yl]methyl]-N-(2-methylpropyl)propan-1-amine

2-methyl-N-[[2-methyl-5-(methylaminomethyl)furan-3-yl]methyl]-N-(2-methylpropyl)propan-1-amine (PubChem CID 62428024) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 2-methyl-N-[[2-methyl-5-(methylaminomethyl)furan-3-yl]methyl]-N-(2-methylpropyl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[2-methyl-5-(methylaminomethyl)furan-3-yl]methyl]-N-(2-methylpropyl)propan-1-amine
PubChem CID62428024
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name2-methyl-N-[[2-methyl-5-(methylaminomethyl)furan-3-yl]methyl]-N-(2-methylpropyl)propan-1-amine
SMILESCNCc1cc(CN(CC(C)C)CC(C)C)c(C)o1
InChIInChI=1S/C16H30N2O/c1-12(2)9-18(10-13(3)4)11-15-7-16(8-17-6)19-14(15)5/h7,12-13,17H,8-11H2,1-6H3
InChIKeyJNIGOOSOLZMLPI-UHFFFAOYSA-N
XLogP3.42
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(ethylaminomethyl)-5-methylfuran-2-yl]methyl]-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 62426427
N-(3-methylbutyl)-N-[[2-methyl-5-(methylaminomethyl)furan-3-yl]methyl]cyclopropanamine
CID 78990082
N-(2-methoxyethyl)-2-methyl-N-[[2-methyl-5-(propylaminomethyl)furan-3-yl]methyl]propan-1-amine
CID 62429791
N-methyl-N-[[2-methyl-5-(methylaminomethyl)furan-3-yl]methyl]-2-propan-2-yloxyethanamine
CID 81067291
1-cyclopropyl-N-methyl-N-[[2-methyl-5-(methylaminomethyl)furan-3-yl]methyl]methanamine
CID 62427462
N-[[4-[(dimethylamino)methyl]-5-methylfuran-2-yl]methyl]propan-2-amine
CID 62417062
N-methyl-N-[[2-methyl-5-(methylaminomethyl)furan-3-yl]methyl]cyclohexanamine
CID 62425372
N-methyl-1-[5-methyl-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]furan-2-yl]methanamine
CID 62775548
N-methyl-N-[[2-methyl-5-(methylaminomethyl)furan-3-yl]methyl]cycloheptanamine
CID 62431880
N-[[5-methyl-4-(methylaminomethyl)furan-2-yl]methyl]-N-prop-2-enylprop-2-en-1-amine
CID 55070105
2-methyl-N-[[5-methyl-4-[[methyl(propan-2-yl)amino]methyl]furan-2-yl]methyl]propan-1-amine
CID 62425019
N,N,N'-trimethyl-N'-[[5-methyl-4-(methylaminomethyl)furan-2-yl]methyl]ethane-1,2-diamine
CID 55228334

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-methyl-5-(methylaminomethyl)furan-3-yl]methyl]-N-(2-methylpropyl)propan-1-amine?
The IUPAC name of 2-methyl-N-[[2-methyl-5-(methylaminomethyl)furan-3-yl]methyl]-N-(2-methylpropyl)propan-1-amine (CID 62428024) is 2-methyl-N-[[2-methyl-5-(methylaminomethyl)furan-3-yl]methyl]-N-(2-methylpropyl)propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[2-methyl-5-(methylaminomethyl)furan-3-yl]methyl]-N-(2-methylpropyl)propan-1-amine?
The canonical SMILES for 2-methyl-N-[[2-methyl-5-(methylaminomethyl)furan-3-yl]methyl]-N-(2-methylpropyl)propan-1-amine is CNCc1cc(CN(CC(C)C)CC(C)C)c(C)o1.
What is the InChIKey of 2-methyl-N-[[2-methyl-5-(methylaminomethyl)furan-3-yl]methyl]-N-(2-methylpropyl)propan-1-amine?
The InChIKey is JNIGOOSOLZMLPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-12(2)9-18(10-13(3)4)11-15-7-16(8-17-6)19-14(15)5/h7,12-13,17H,8-11H2,1-6H3.
What are the key properties of 2-methyl-N-[[2-methyl-5-(methylaminomethyl)furan-3-yl]methyl]-N-(2-methylpropyl)propan-1-amine?
2-methyl-N-[[2-methyl-5-(methylaminomethyl)furan-3-yl]methyl]-N-(2-methylpropyl)propan-1-amine has a molecular weight of 266.43 g/mol, XLogP of 3.42, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-methyl-5-(methylaminomethyl)furan-3-yl]methyl]-N-(2-methylpropyl)propan-1-amine is sourced from PubChem (CID 62428024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).