N-cyclopropyl-N-ethyl-1-(5-methylthiophen-2-yl)ethane-1,2-diamine

C12H20N2S — CID 43264016

IUPACN-cyclopropyl-N-ethyl-1-(5-methylthiophen-2-yl)ethane-1,2-diamine
SMILESCCN(C1CC1)C(CN)c1ccc(C)s1
InChIInChI=1S/C12H20N2S/c1-3-14(10-5-6-10)11(8-13)12-7-4-9(2)15-12/h4,7,10-11H,3,5-6,8,13H2,1-2H3
InChIKeyOCOIVJXPTZNTEZ-UHFFFAOYSA-N
MW224.37 g/mol
LogP2.54
Rot. Bonds5

About N-cyclopropyl-N-ethyl-1-(5-methylthiophen-2-yl)ethane-1,2-diamine

N-cyclopropyl-N-ethyl-1-(5-methylthiophen-2-yl)ethane-1,2-diamine (PubChem CID 43264016) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is N-cyclopropyl-N-ethyl-1-(5-methylthiophen-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-cyclopropyl-N-ethyl-1-(5-methylthiophen-2-yl)ethane-1,2-diamine
PubChem CID43264016
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC NameN-cyclopropyl-N-ethyl-1-(5-methylthiophen-2-yl)ethane-1,2-diamine
SMILESCCN(C1CC1)C(CN)c1ccc(C)s1
InChIInChI=1S/C12H20N2S/c1-3-14(10-5-6-10)11(8-13)12-7-4-9(2)15-12/h4,7,10-11H,3,5-6,8,13H2,1-2H3
InChIKeyOCOIVJXPTZNTEZ-UHFFFAOYSA-N
XLogP2.54
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclopropylmethyl)-N-methyl-1-(5-methylthiophen-2-yl)ethane-1,2-diamine
CID 60984620
N-cyclopropyl-1-[4-(difluoromethyl)phenyl]-N-ethylethane-1,2-diamine
CID 113328405
N-cyclopropyl-1-(2,5-dimethylphenyl)-N-ethylethane-1,2-diamine
CID 54977845
N-cyclopropyl-N-ethyl-1-(4-methylsulfanylphenyl)ethane-1,2-diamine
CID 43264029
N-methyl-1-(5-methylthiophen-2-yl)-N-(oxan-4-ylmethyl)ethane-1,2-diamine
CID 63725566
1-(3-bromothiophen-2-yl)-N-cyclopropyl-N-ethylethane-1,2-diamine
CID 115380297
N-cyclopropyl-N-ethyl-1-(2-fluoro-5-methylphenyl)ethane-1,2-diamine
CID 114053998
N-methyl-1-(5-methylthiophen-2-yl)-N-pentylethane-1,2-diamine
CID 43294656
1-(4-chlorothiophen-2-yl)-N-cyclopentyl-N-ethylethane-1,2-diamine
CID 79428051
N-cyclohexyl-N-ethyl-1-(4-ethylphenyl)ethane-1,2-diamine
CID 43078748
N-cyclopropyl-1-(2,3-dichlorophenyl)-N-ethylethane-1,2-diamine
CID 43264069
1-(3-chloro-4-fluorophenyl)-N-cyclopropyl-N-ethylethane-1,2-diamine
CID 81144895

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-ethyl-1-(5-methylthiophen-2-yl)ethane-1,2-diamine?
The IUPAC name of N-cyclopropyl-N-ethyl-1-(5-methylthiophen-2-yl)ethane-1,2-diamine (CID 43264016) is N-cyclopropyl-N-ethyl-1-(5-methylthiophen-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N-cyclopropyl-N-ethyl-1-(5-methylthiophen-2-yl)ethane-1,2-diamine?
The canonical SMILES for N-cyclopropyl-N-ethyl-1-(5-methylthiophen-2-yl)ethane-1,2-diamine is CCN(C1CC1)C(CN)c1ccc(C)s1.
What is the InChIKey of N-cyclopropyl-N-ethyl-1-(5-methylthiophen-2-yl)ethane-1,2-diamine?
The InChIKey is OCOIVJXPTZNTEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S/c1-3-14(10-5-6-10)11(8-13)12-7-4-9(2)15-12/h4,7,10-11H,3,5-6,8,13H2,1-2H3.
What are the key properties of N-cyclopropyl-N-ethyl-1-(5-methylthiophen-2-yl)ethane-1,2-diamine?
N-cyclopropyl-N-ethyl-1-(5-methylthiophen-2-yl)ethane-1,2-diamine has a molecular weight of 224.37 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-ethyl-1-(5-methylthiophen-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 43264016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).