N'-ethyl-N'-[(5-iodothiophen-3-yl)methyl]ethane-1,2-diamine

C9H15IN2S — CID 103102067

IUPACN'-ethyl-N'-[(5-iodothiophen-3-yl)methyl]ethane-1,2-diamine
SMILESCCN(CCN)Cc1csc(I)c1
InChIInChI=1S/C9H15IN2S/c1-2-12(4-3-11)6-8-5-9(10)13-7-8/h5,7H,2-4,6,11H2,1H3
InChIKeyUZEDALIXAGYQEK-UHFFFAOYSA-N
MW310.20 g/mol
LogP2.13
Rot. Bonds5

About N'-ethyl-N'-[(5-iodothiophen-3-yl)methyl]ethane-1,2-diamine

N'-ethyl-N'-[(5-iodothiophen-3-yl)methyl]ethane-1,2-diamine (PubChem CID 103102067) has the molecular formula C9H15IN2S and a molecular weight of 310.20 g/mol. Its IUPAC name is N'-ethyl-N'-[(5-iodothiophen-3-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-[(5-iodothiophen-3-yl)methyl]ethane-1,2-diamine
PubChem CID103102067
Molecular FormulaC9H15IN2S
Molecular Weight310.20 g/mol
Exact Mass310.00
IUPAC NameN'-ethyl-N'-[(5-iodothiophen-3-yl)methyl]ethane-1,2-diamine
SMILESCCN(CCN)Cc1csc(I)c1
InChIInChI=1S/C9H15IN2S/c1-2-12(4-3-11)6-8-5-9(10)13-7-8/h5,7H,2-4,6,11H2,1H3
InChIKeyUZEDALIXAGYQEK-UHFFFAOYSA-N
XLogP2.13
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.20
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-ethyl-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 103102209
N'-ethyl-N'-[(3-iodophenyl)methyl]ethane-1,2-diamine
CID 154733830
N'-[(3,5-dimethylphenyl)methyl]-N'-ethylethane-1,2-diamine
CID 61348360
N'-[(4-bromophenyl)methyl]-N'-ethylethane-1,2-diamine
CID 66568273
N'-[(4-chloro-3-methylphenyl)methyl]-N'-ethylethane-1,2-diamine
CID 103102286
N'-ethyl-N'-[(3-methoxy-4-methylphenyl)methyl]ethane-1,2-diamine
CID 103102095
N'-[(2-bromo-5-methylphenyl)methyl]-N'-ethylethane-1,2-diamine
CID 103102194
N'-(2-aminoethyl)-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 62923287
N'-ethyl-N'-[(2-methylquinolin-6-yl)methyl]ethane-1,2-diamine
CID 114231068
N'-ethyl-N'-(1H-indol-6-ylmethyl)ethane-1,2-diamine
CID 103102150
N'-ethyl-N'-[(4-propoxyphenyl)methyl]ethane-1,2-diamine
CID 114231048
N'-[(2,5-dimethylphenyl)methyl]-N'-ethylethane-1,2-diamine
CID 61481983

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-[(5-iodothiophen-3-yl)methyl]ethane-1,2-diamine?
The IUPAC name of N'-ethyl-N'-[(5-iodothiophen-3-yl)methyl]ethane-1,2-diamine (CID 103102067) is N'-ethyl-N'-[(5-iodothiophen-3-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N'-[(5-iodothiophen-3-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N'-[(5-iodothiophen-3-yl)methyl]ethane-1,2-diamine is CCN(CCN)Cc1csc(I)c1.
What is the InChIKey of N'-ethyl-N'-[(5-iodothiophen-3-yl)methyl]ethane-1,2-diamine?
The InChIKey is UZEDALIXAGYQEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15IN2S/c1-2-12(4-3-11)6-8-5-9(10)13-7-8/h5,7H,2-4,6,11H2,1H3.
What are the key properties of N'-ethyl-N'-[(5-iodothiophen-3-yl)methyl]ethane-1,2-diamine?
N'-ethyl-N'-[(5-iodothiophen-3-yl)methyl]ethane-1,2-diamine has a molecular weight of 310.20 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-[(5-iodothiophen-3-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 103102067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).