N-[[5-(ethylaminomethyl)-2-methylfuran-3-yl]methyl]-N-propan-2-ylpentan-1-amine

C17H32N2O — CID 62463058

IUPACN-[[5-(ethylaminomethyl)-2-methylfuran-3-yl]methyl]-N-propan-2-ylpentan-1-amine
SMILESCCCCCN(Cc1cc(CNCC)oc1C)C(C)C
InChIInChI=1S/C17H32N2O/c1-6-8-9-10-19(14(3)4)13-16-11-17(12-18-7-2)20-15(16)5/h11,14,18H,6-10,12-13H2,1-5H3
InChIKeyVIPWCIOTPQBXGV-UHFFFAOYSA-N
MW280.46 g/mol
LogP4.10
Rot. Bonds10

About N-[[5-(ethylaminomethyl)-2-methylfuran-3-yl]methyl]-N-propan-2-ylpentan-1-amine

N-[[5-(ethylaminomethyl)-2-methylfuran-3-yl]methyl]-N-propan-2-ylpentan-1-amine (PubChem CID 62463058) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is N-[[5-(ethylaminomethyl)-2-methylfuran-3-yl]methyl]-N-propan-2-ylpentan-1-amine.

Molecular Properties

Compound NameN-[[5-(ethylaminomethyl)-2-methylfuran-3-yl]methyl]-N-propan-2-ylpentan-1-amine
PubChem CID62463058
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC NameN-[[5-(ethylaminomethyl)-2-methylfuran-3-yl]methyl]-N-propan-2-ylpentan-1-amine
SMILESCCCCCN(Cc1cc(CNCC)oc1C)C(C)C
InChIInChI=1S/C17H32N2O/c1-6-8-9-10-19(14(3)4)13-16-11-17(12-18-7-2)20-15(16)5/h11,14,18H,6-10,12-13H2,1-5H3
InChIKeyVIPWCIOTPQBXGV-UHFFFAOYSA-N
XLogP4.10
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-N-ethyl-2-N-[[5-(ethylaminomethyl)-2-methylfuran-3-yl]methyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 103191733
N-ethyl-N-[[4-(ethylaminomethyl)-5-methylfuran-2-yl]methyl]propan-2-amine
CID 62418328
N-[[4-(ethylaminomethyl)phenyl]methyl]-N-propan-2-ylpentan-1-amine
CID 62462519
N-[[3-(ethylaminomethyl)furan-2-yl]methyl]-N-propan-2-ylpentan-1-amine
CID 62463764
N-[[5-methyl-4-[[methyl-[(4-methylphenyl)methyl]amino]methyl]furan-2-yl]methyl]ethanamine
CID 62419799
N-[[5-methyl-4-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]furan-2-yl]methyl]ethanamine
CID 55257484
2-methyl-N-[[2-methyl-5-[[propan-2-yl(propyl)amino]methyl]furan-3-yl]methyl]propan-2-amine
CID 62420500
4-methyl-2-[[pentyl(propan-2-yl)amino]methyl]phenol
CID 82978818
N-[[4-(ethylaminomethyl)-5-methylfuran-2-yl]methyl]-N-methylpropan-1-amine
CID 62417372
N-[[4-(ethylaminomethyl)-5-methylfuran-2-yl]methyl]-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 62426427
2-methyl-N-[[5-methyl-4-[[methyl(propan-2-yl)amino]methyl]furan-2-yl]methyl]propan-1-amine
CID 62425019
N-butyl-N-[[4-(ethylaminomethyl)-5-methylfuran-2-yl]methyl]cyclopropanamine
CID 62430378

Frequently Asked Questions

What is the IUPAC name of N-[[5-(ethylaminomethyl)-2-methylfuran-3-yl]methyl]-N-propan-2-ylpentan-1-amine?
The IUPAC name of N-[[5-(ethylaminomethyl)-2-methylfuran-3-yl]methyl]-N-propan-2-ylpentan-1-amine (CID 62463058) is N-[[5-(ethylaminomethyl)-2-methylfuran-3-yl]methyl]-N-propan-2-ylpentan-1-amine.
What is the SMILES notation for N-[[5-(ethylaminomethyl)-2-methylfuran-3-yl]methyl]-N-propan-2-ylpentan-1-amine?
The canonical SMILES for N-[[5-(ethylaminomethyl)-2-methylfuran-3-yl]methyl]-N-propan-2-ylpentan-1-amine is CCCCCN(Cc1cc(CNCC)oc1C)C(C)C.
What is the InChIKey of N-[[5-(ethylaminomethyl)-2-methylfuran-3-yl]methyl]-N-propan-2-ylpentan-1-amine?
The InChIKey is VIPWCIOTPQBXGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-6-8-9-10-19(14(3)4)13-16-11-17(12-18-7-2)20-15(16)5/h11,14,18H,6-10,12-13H2,1-5H3.
What are the key properties of N-[[5-(ethylaminomethyl)-2-methylfuran-3-yl]methyl]-N-propan-2-ylpentan-1-amine?
N-[[5-(ethylaminomethyl)-2-methylfuran-3-yl]methyl]-N-propan-2-ylpentan-1-amine has a molecular weight of 280.46 g/mol, XLogP of 4.10, 10 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-propan-2-ylpentan-1-amine is sourced from PubChem (CID 62463058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).