3-(5-iodofuran-2-yl)-N,N-dimethylpropan-1-amine

C9H14INO — CID 170867289

IUPAC3-(5-iodofuran-2-yl)-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCc1ccc(I)o1
InChIInChI=1S/C9H14INO/c1-11(2)7-3-4-8-5-6-9(10)12-8/h5-6H,3-4,7H2,1-2H3
InChIKeyYFLBWOJXXPFXDE-UHFFFAOYSA-N
MW279.12 g/mol
LogP2.38
Rot. Bonds4

About 3-(5-iodofuran-2-yl)-N,N-dimethylpropan-1-amine

3-(5-iodofuran-2-yl)-N,N-dimethylpropan-1-amine (PubChem CID 170867289) has the molecular formula C9H14INO and a molecular weight of 279.12 g/mol. Its IUPAC name is 3-(5-iodofuran-2-yl)-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-(5-iodofuran-2-yl)-N,N-dimethylpropan-1-amine
PubChem CID170867289
Molecular FormulaC9H14INO
Molecular Weight279.12 g/mol
Exact Mass279.01
IUPAC Name3-(5-iodofuran-2-yl)-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCc1ccc(I)o1
InChIInChI=1S/C9H14INO/c1-11(2)7-3-4-8-5-6-9(10)12-8/h5-6H,3-4,7H2,1-2H3
InChIKeyYFLBWOJXXPFXDE-UHFFFAOYSA-N
XLogP2.38
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.12
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-3-(5-propylfuran-2-yl)propan-1-amine
CID 170867226
N,N-dimethyl-3-[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]propan-1-amine
CID 170867227
3-[5-[(3-chlorophenoxy)methyl]furan-2-yl]-N,N-dimethylpropan-1-amine
CID 170867232
N,N-dimethyl-3-[5-(2-methylpiperidin-1-yl)furan-2-yl]propan-1-amine
CID 170867224
1-N-[(5-iodofuran-2-yl)methyl]-3-N,3-N-dimethylbenzene-1,3-diamine
CID 113297515
1-[4-[5-[(dimethylamino)methyl]furan-2-yl]butyl]-3-methylthiourea
CID 23452145
N,N-dimethyl-3-(1,2-oxazol-3-yl)propan-1-amine
CID 57052776
3-(5-methylfuran-2-yl)propane-1-thiol
CID 83694727
3-(5-butylfuran-2-yl)sulfinyl-3-(2-methoxyphenyl)-N,N-dimethylpropan-1-amine
CID 19865618
5-[[3-(dimethylamino)propyl-methylamino]methyl]furan-2-carbohydrazide
CID 63726556
5-(2-aminoethyl)-N,N-dimethylfuran-2-amine
CID 55253433
4-[3-(dimethylamino)propyl]aniline;ethane
CID 144651557

Frequently Asked Questions

What is the IUPAC name of 3-(5-iodofuran-2-yl)-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-(5-iodofuran-2-yl)-N,N-dimethylpropan-1-amine (CID 170867289) is 3-(5-iodofuran-2-yl)-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-(5-iodofuran-2-yl)-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-(5-iodofuran-2-yl)-N,N-dimethylpropan-1-amine is CN(C)CCCc1ccc(I)o1.
What is the InChIKey of 3-(5-iodofuran-2-yl)-N,N-dimethylpropan-1-amine?
The InChIKey is YFLBWOJXXPFXDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14INO/c1-11(2)7-3-4-8-5-6-9(10)12-8/h5-6H,3-4,7H2,1-2H3.
What are the key properties of 3-(5-iodofuran-2-yl)-N,N-dimethylpropan-1-amine?
3-(5-iodofuran-2-yl)-N,N-dimethylpropan-1-amine has a molecular weight of 279.12 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-iodofuran-2-yl)-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 170867289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).