N'-[(5-ethylthiophen-2-yl)methyl]ethane-1,2-diamine

C9H16N2S — CID 62142433

IUPACN'-[(5-ethylthiophen-2-yl)methyl]ethane-1,2-diamine
SMILESCCc1ccc(CNCCN)s1
InChIInChI=1S/C9H16N2S/c1-2-8-3-4-9(12-8)7-11-6-5-10/h3-4,11H,2,5-7,10H2,1H3
InChIKeyRPZLEFBFGQIZFW-UHFFFAOYSA-N
MW184.31 g/mol
LogP1.36
Rot. Bonds5

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

N'-[(5-ethylthiophen-2-yl)methyl]ethane-1,2-diamine (PubChem CID 62142433) has the molecular formula C9H16N2S and a molecular weight of 184.31 g/mol. Its IUPAC name is N'-[(5-ethylthiophen-2-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(5-ethylthiophen-2-yl)methyl]ethane-1,2-diamine
PubChem CID62142433
Molecular FormulaC9H16N2S
Molecular Weight184.31 g/mol
Exact Mass184.10
IUPAC NameN'-[(5-ethylthiophen-2-yl)methyl]ethane-1,2-diamine
SMILESCCc1ccc(CNCCN)s1
InChIInChI=1S/C9H16N2S/c1-2-8-3-4-9(12-8)7-11-6-5-10/h3-4,11H,2,5-7,10H2,1H3
InChIKeyRPZLEFBFGQIZFW-UHFFFAOYSA-N
XLogP1.36
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.31
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(5-ethylthiophen-2-yl)methyl]heptan-1-amine
CID 106009218
3-ethylsulfonyl-N-[(5-ethylthiophen-2-yl)methyl]propan-1-amine
CID 106011044
2-[1-(aminomethyl)cyclobutyl]-N-[(5-ethylthiophen-2-yl)methyl]ethanamine
CID 106012080
N'-[(5-ethylthiophen-2-yl)methyl]-N-prop-2-ynylethane-1,2-diamine
CID 106012225
5-[(2-aminoethylamino)methyl]thiophene-2-carbaldehyde
CID 88680246
3-cyclopentyl-N-[(5-ethylthiophen-2-yl)methyl]propan-1-amine
CID 106008268
N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(5-ethylthiophen-2-yl)methanamine
CID 106012052
2,5-diethylthiophene
CID 521294
3-[3-[(5-ethylthiophen-2-yl)methylamino]propyl]aniline
CID 106012145
2-[(5-ethylthiophen-2-yl)methylamino]-N,N-dimethylethanesulfonamide
CID 114175013
N-[(5-ethylthiophen-2-yl)methyl]hydroxylamine
CID 82686078
1-N-[(5-ethylthiophen-2-yl)methyl]-3,3-dimethylbutane-1,2-diamine
CID 106012081

Frequently Asked Questions

What is the IUPAC name of N'-[(5-ethylthiophen-2-yl)methyl]ethane-1,2-diamine?
The IUPAC name of N'-[(5-ethylthiophen-2-yl)methyl]ethane-1,2-diamine (CID 62142433) is N'-[(5-ethylthiophen-2-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[(5-ethylthiophen-2-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for N'-[(5-ethylthiophen-2-yl)methyl]ethane-1,2-diamine is CCc1ccc(CNCCN)s1.
What is the InChIKey of N'-[(5-ethylthiophen-2-yl)methyl]ethane-1,2-diamine?
The InChIKey is RPZLEFBFGQIZFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2S/c1-2-8-3-4-9(12-8)7-11-6-5-10/h3-4,11H,2,5-7,10H2,1H3.
What are the key properties of N'-[(5-ethylthiophen-2-yl)methyl]ethane-1,2-diamine?
N'-[(5-ethylthiophen-2-yl)methyl]ethane-1,2-diamine has a molecular weight of 184.31 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(5-ethylthiophen-2-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 62142433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).