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

C16H30N2O — CID 62463764

IUPACN-[[3-(ethylaminomethyl)furan-2-yl]methyl]-N-propan-2-ylpentan-1-amine
SMILESCCCCCN(Cc1occc1CNCC)C(C)C
InChIInChI=1S/C16H30N2O/c1-5-7-8-10-18(14(3)4)13-16-15(9-11-19-16)12-17-6-2/h9,11,14,17H,5-8,10,12-13H2,1-4H3
InChIKeyRAZICKGFNQGNNE-UHFFFAOYSA-N
MW266.43 g/mol
LogP3.79
Rot. Bonds10

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

N-[[3-(ethylaminomethyl)furan-2-yl]methyl]-N-propan-2-ylpentan-1-amine (PubChem CID 62463764) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is N-[[3-(ethylaminomethyl)furan-2-yl]methyl]-N-propan-2-ylpentan-1-amine.

Molecular Properties

Compound NameN-[[3-(ethylaminomethyl)furan-2-yl]methyl]-N-propan-2-ylpentan-1-amine
PubChem CID62463764
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC NameN-[[3-(ethylaminomethyl)furan-2-yl]methyl]-N-propan-2-ylpentan-1-amine
SMILESCCCCCN(Cc1occc1CNCC)C(C)C
InChIInChI=1S/C16H30N2O/c1-5-7-8-10-18(14(3)4)13-16-15(9-11-19-16)12-17-6-2/h9,11,14,17H,5-8,10,12-13H2,1-4H3
InChIKeyRAZICKGFNQGNNE-UHFFFAOYSA-N
XLogP3.79
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 53.79
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

N-[[2-(methylaminomethyl)furan-3-yl]methyl]-N-propan-2-ylpentan-1-amine
CID 55072134
N'-[[3-(ethylaminomethyl)furan-2-yl]methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 62428599
N-[[4-(ethylaminomethyl)phenyl]methyl]-N-propan-2-ylpentan-1-amine
CID 62462519
N-ethyl-N-[[3-(methylaminomethyl)furan-2-yl]methyl]propan-2-amine
CID 62418170
N-[[2-(heptoxymethyl)furan-3-yl]methyl]ethanamine
CID 62455259
N-[[3-(ethylaminomethyl)furan-2-yl]methyl]-N-(2-methylpropyl)cyclopropanamine
CID 62429369
N-[[5-(ethylaminomethyl)-2-methylfuran-3-yl]methyl]-N-propan-2-ylpentan-1-amine
CID 62463058
N-[[2-[[(4-fluorophenyl)methyl-methylamino]methyl]furan-3-yl]methyl]ethanamine
CID 62413581
N-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]-N-propan-2-ylpentan-1-amine
CID 106906306
2-methyl-N-[[3-[[propan-2-yl(propyl)amino]methyl]furan-2-yl]methyl]propan-2-amine
CID 55075072
N'-[[2-(ethylaminomethyl)furan-3-yl]methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 62426635
N-[[5-(aminomethyl)furan-2-yl]methyl]-N-propan-2-ylpentan-1-amine
CID 62462162

Frequently Asked Questions

What is the IUPAC name of N-[[3-(ethylaminomethyl)furan-2-yl]methyl]-N-propan-2-ylpentan-1-amine?
The IUPAC name of N-[[3-(ethylaminomethyl)furan-2-yl]methyl]-N-propan-2-ylpentan-1-amine (CID 62463764) is N-[[3-(ethylaminomethyl)furan-2-yl]methyl]-N-propan-2-ylpentan-1-amine.
What is the SMILES notation for N-[[3-(ethylaminomethyl)furan-2-yl]methyl]-N-propan-2-ylpentan-1-amine?
The canonical SMILES for N-[[3-(ethylaminomethyl)furan-2-yl]methyl]-N-propan-2-ylpentan-1-amine is CCCCCN(Cc1occc1CNCC)C(C)C.
What is the InChIKey of N-[[3-(ethylaminomethyl)furan-2-yl]methyl]-N-propan-2-ylpentan-1-amine?
The InChIKey is RAZICKGFNQGNNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-5-7-8-10-18(14(3)4)13-16-15(9-11-19-16)12-17-6-2/h9,11,14,17H,5-8,10,12-13H2,1-4H3.
What are the key properties of N-[[3-(ethylaminomethyl)furan-2-yl]methyl]-N-propan-2-ylpentan-1-amine?
N-[[3-(ethylaminomethyl)furan-2-yl]methyl]-N-propan-2-ylpentan-1-amine has a molecular weight of 266.43 g/mol, XLogP of 3.79, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(ethylaminomethyl)furan-2-yl]methyl]-N-propan-2-ylpentan-1-amine is sourced from PubChem (CID 62463764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).