N',N'-diethyl-N-[(5-iodofuran-2-yl)methyl]propane-1,3-diamine

C12H21IN2O — CID 43763160

IUPACN',N'-diethyl-N-[(5-iodofuran-2-yl)methyl]propane-1,3-diamine
SMILESCCN(CC)CCCNCc1ccc(I)o1
InChIInChI=1S/C12H21IN2O/c1-3-15(4-2)9-5-8-14-10-11-6-7-12(13)16-11/h6-7,14H,3-5,8-10H2,1-2H3
InChIKeyVIQBJDVJSFVOEZ-UHFFFAOYSA-N
MW336.22 g/mol
LogP2.71
Rot. Bonds8

About N',N'-diethyl-N-[(5-iodofuran-2-yl)methyl]propane-1,3-diamine

N',N'-diethyl-N-[(5-iodofuran-2-yl)methyl]propane-1,3-diamine (PubChem CID 43763160) has the molecular formula C12H21IN2O and a molecular weight of 336.22 g/mol. Its IUPAC name is N',N'-diethyl-N-[(5-iodofuran-2-yl)methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-[(5-iodofuran-2-yl)methyl]propane-1,3-diamine
PubChem CID43763160
Molecular FormulaC12H21IN2O
Molecular Weight336.22 g/mol
Exact Mass336.07
IUPAC NameN',N'-diethyl-N-[(5-iodofuran-2-yl)methyl]propane-1,3-diamine
SMILESCCN(CC)CCCNCc1ccc(I)o1
InChIInChI=1S/C12H21IN2O/c1-3-15(4-2)9-5-8-14-10-11-6-7-12(13)16-11/h6-7,14H,3-5,8-10H2,1-2H3
InChIKeyVIQBJDVJSFVOEZ-UHFFFAOYSA-N
XLogP2.71
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.22
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-N-[[2-[[(5-iodofuran-2-yl)methylamino]methyl]phenyl]methyl]ethanamine
CID 43768406
5-[(5-iodofuran-2-yl)methylamino]-2-methylpentan-1-ol
CID 106157788
N',N'-diethyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]ethane-1,2-diamine
CID 43761839
N,N-diethyl-N'-[(5-iodofuran-2-yl)methyl]-1-phenylethane-1,2-diamine
CID 43758958
3-[(5-ethylfuran-2-yl)methylamino]propan-1-ol
CID 62346673
N-[(5-iodofuran-2-yl)methyl]-2-(2-methylphenyl)ethanamine
CID 79763223
N',N'-diethyl-N-[(2-methylpyrazol-3-yl)methyl]propane-1,3-diamine
CID 43663207
methyl 5-[[3-(diethylamino)propylamino]methyl]-2-methylfuran-3-carboxylate
CID 43219152
N',N'-dibutyl-N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]propane-1,3-diamine
CID 17214757
2-ethyl-N-[(5-iodofuran-2-yl)methyl]hexan-1-amine
CID 43767472
N-[(5-iodofuran-2-yl)methyl]-3-methyl-2-propan-2-ylbutan-1-amine
CID 102904166
N',N'-diethyl-N-[(5-methylfuran-3-yl)methyl]propane-1,3-diamine
CID 114820563

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-[(5-iodofuran-2-yl)methyl]propane-1,3-diamine?
The IUPAC name of N',N'-diethyl-N-[(5-iodofuran-2-yl)methyl]propane-1,3-diamine (CID 43763160) is N',N'-diethyl-N-[(5-iodofuran-2-yl)methyl]propane-1,3-diamine.
What is the SMILES notation for N',N'-diethyl-N-[(5-iodofuran-2-yl)methyl]propane-1,3-diamine?
The canonical SMILES for N',N'-diethyl-N-[(5-iodofuran-2-yl)methyl]propane-1,3-diamine is CCN(CC)CCCNCc1ccc(I)o1.
What is the InChIKey of N',N'-diethyl-N-[(5-iodofuran-2-yl)methyl]propane-1,3-diamine?
The InChIKey is VIQBJDVJSFVOEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21IN2O/c1-3-15(4-2)9-5-8-14-10-11-6-7-12(13)16-11/h6-7,14H,3-5,8-10H2,1-2H3.
What are the key properties of N',N'-diethyl-N-[(5-iodofuran-2-yl)methyl]propane-1,3-diamine?
N',N'-diethyl-N-[(5-iodofuran-2-yl)methyl]propane-1,3-diamine has a molecular weight of 336.22 g/mol, XLogP of 2.71, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-[(5-iodofuran-2-yl)methyl]propane-1,3-diamine is sourced from PubChem (CID 43763160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).