N-(2-methoxyethyl)-2-methyl-N-[[2-methyl-5-(propylaminomethyl)furan-3-yl]methyl]propan-1-amine

C17H32N2O2 — CID 62429791

IUPACN-(2-methoxyethyl)-2-methyl-N-[[2-methyl-5-(propylaminomethyl)furan-3-yl]methyl]propan-1-amine
SMILESCCCNCc1cc(CN(CCOC)CC(C)C)c(C)o1
InChIInChI=1S/C17H32N2O2/c1-6-7-18-11-17-10-16(15(4)21-17)13-19(8-9-20-5)12-14(2)3/h10,14,18H,6-9,11-13H2,1-5H3
InChIKeyCLBOYZXNBGMKHW-UHFFFAOYSA-N
MW296.46 g/mol
LogP3.19
Rot. Bonds11

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

N-(2-methoxyethyl)-2-methyl-N-[[2-methyl-5-(propylaminomethyl)furan-3-yl]methyl]propan-1-amine (PubChem CID 62429791) has the molecular formula C17H32N2O2 and a molecular weight of 296.46 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-methyl-N-[[2-methyl-5-(propylaminomethyl)furan-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-methyl-N-[[2-methyl-5-(propylaminomethyl)furan-3-yl]methyl]propan-1-amine
PubChem CID62429791
Molecular FormulaC17H32N2O2
Molecular Weight296.46 g/mol
Exact Mass296.25
IUPAC NameN-(2-methoxyethyl)-2-methyl-N-[[2-methyl-5-(propylaminomethyl)furan-3-yl]methyl]propan-1-amine
SMILESCCCNCc1cc(CN(CCOC)CC(C)C)c(C)o1
InChIInChI=1S/C17H32N2O2/c1-6-7-18-11-17-10-16(15(4)21-17)13-19(8-9-20-5)12-14(2)3/h10,14,18H,6-9,11-13H2,1-5H3
InChIKeyCLBOYZXNBGMKHW-UHFFFAOYSA-N
XLogP3.19
TPSA37.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[5-[[ethyl(2-methoxyethyl)amino]methyl]-2-methylfuran-3-yl]methyl]propan-1-amine
CID 62435770
N-[[4-[[2-methoxyethyl(prop-2-enyl)amino]methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-1-amine
CID 103340227
N-[[4-[[bis(prop-2-enyl)amino]methyl]-5-methylfuran-2-yl]methyl]propan-1-amine
CID 62438260
2-methyl-N-[[2-methyl-5-(methylaminomethyl)furan-3-yl]methyl]-N-(2-methylpropyl)propan-1-amine
CID 62428024
N-ethyl-1-methoxy-N-[[5-methyl-4-(propylaminomethyl)furan-2-yl]methyl]propan-2-amine
CID 62426691
N-[[4-[[2-ethoxyethyl(methyl)amino]methyl]-5-methylfuran-2-yl]methyl]propan-1-amine
CID 81068367
N-[[4-[[ethyl(2-methoxyethyl)amino]methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine
CID 62435949
N,3,3-trimethyl-N-[[2-methyl-5-(propylaminomethyl)furan-3-yl]methyl]butan-2-amine
CID 62427206
N-[[4-(ethylaminomethyl)-5-methylfuran-2-yl]methyl]-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 62426427
N-ethyl-2-methoxy-N-[[5-methyl-4-(methylaminomethyl)furan-2-yl]methyl]ethanamine
CID 62435593
N-[[4-(ethylaminomethyl)-5-methylfuran-2-yl]methyl]-N-(2-methoxyethyl)prop-2-en-1-amine
CID 103340457
N-[[2-methyl-5-[[methyl(2-propan-2-yloxyethyl)amino]methyl]furan-3-yl]methyl]propan-1-amine
CID 81068577

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-methyl-N-[[2-methyl-5-(propylaminomethyl)furan-3-yl]methyl]propan-1-amine?
The IUPAC name of N-(2-methoxyethyl)-2-methyl-N-[[2-methyl-5-(propylaminomethyl)furan-3-yl]methyl]propan-1-amine (CID 62429791) is N-(2-methoxyethyl)-2-methyl-N-[[2-methyl-5-(propylaminomethyl)furan-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-2-methyl-N-[[2-methyl-5-(propylaminomethyl)furan-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-2-methyl-N-[[2-methyl-5-(propylaminomethyl)furan-3-yl]methyl]propan-1-amine is CCCNCc1cc(CN(CCOC)CC(C)C)c(C)o1.
What is the InChIKey of N-(2-methoxyethyl)-2-methyl-N-[[2-methyl-5-(propylaminomethyl)furan-3-yl]methyl]propan-1-amine?
The InChIKey is CLBOYZXNBGMKHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-6-7-18-11-17-10-16(15(4)21-17)13-19(8-9-20-5)12-14(2)3/h10,14,18H,6-9,11-13H2,1-5H3.
What are the key properties of N-(2-methoxyethyl)-2-methyl-N-[[2-methyl-5-(propylaminomethyl)furan-3-yl]methyl]propan-1-amine?
N-(2-methoxyethyl)-2-methyl-N-[[2-methyl-5-(propylaminomethyl)furan-3-yl]methyl]propan-1-amine has a molecular weight of 296.46 g/mol, XLogP of 3.19, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-methyl-N-[[2-methyl-5-(propylaminomethyl)furan-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 62429791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).