N'-ethyl-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine

C9H16N2S — CID 103102209

IUPACN'-ethyl-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine
SMILESCCN(CCN)Cc1ccsc1
InChIInChI=1S/C9H16N2S/c1-2-11(5-4-10)7-9-3-6-12-8-9/h3,6,8H,2,4-5,7,10H2,1H3
InChIKeyPOIYPDITVUASPP-UHFFFAOYSA-N
MW184.31 g/mol
LogP1.53
Rot. Bonds5

About N'-ethyl-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine

N'-ethyl-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine (PubChem CID 103102209) has the molecular formula C9H16N2S and a molecular weight of 184.31 g/mol. Its IUPAC name is N'-ethyl-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine
PubChem CID103102209
Molecular FormulaC9H16N2S
Molecular Weight184.31 g/mol
Exact Mass184.10
IUPAC NameN'-ethyl-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine
SMILESCCN(CCN)Cc1ccsc1
InChIInChI=1S/C9H16N2S/c1-2-11(5-4-10)7-9-3-6-12-8-9/h3,6,8H,2,4-5,7,10H2,1H3
InChIKeyPOIYPDITVUASPP-UHFFFAOYSA-N
XLogP1.53
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.31
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(2-aminoethyl)-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 62923287
2-[ethyl(thiophen-3-ylmethyl)amino]acetic acid
CID 55028747
N'-[(4-bromophenyl)methyl]-N'-ethylethane-1,2-diamine
CID 66568273
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-chloro-3-methylphenyl)methyl]-N'-ethylethane-1,2-diamine
CID 103102286
N'-ethyl-N'-(pyridin-4-ylmethyl)-N-(2-thiophen-3-ylethyl)ethane-1,2-diamine
CID 62555381
N'-ethyl-N'-[(3-methoxy-4-methylphenyl)methyl]ethane-1,2-diamine
CID 103102095
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
3-bromo-N-methyl-N-(thiophen-3-ylmethyl)propan-1-amine
CID 61286719
N'-ethyl-N'-[(3-nitrophenyl)methyl]ethane-1,2-diamine
CID 66568364

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N'-ethyl-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine (CID 103102209) is N'-ethyl-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine is CCN(CCN)Cc1ccsc1.
What is the InChIKey of N'-ethyl-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine?
The InChIKey is POIYPDITVUASPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2S/c1-2-11(5-4-10)7-9-3-6-12-8-9/h3,6,8H,2,4-5,7,10H2,1H3.
What are the key properties of N'-ethyl-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine?
N'-ethyl-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine has a molecular weight of 184.31 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 103102209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).