1-cyclopropyl-N-[(5-ethylthiophen-2-yl)methyl]-N-methylethane-1,2-diamine

C13H22N2S — CID 116651199

IUPAC1-cyclopropyl-N-[(5-ethylthiophen-2-yl)methyl]-N-methylethane-1,2-diamine
SMILESCCc1ccc(CN(C)C(CN)C2CC2)s1
InChIInChI=1S/C13H22N2S/c1-3-11-6-7-12(16-11)9-15(2)13(8-14)10-4-5-10/h6-7,10,13H,3-5,8-9,14H2,1-2H3
InChIKeyYRCKLTXACPCVQA-UHFFFAOYSA-N
MW238.40 g/mol
LogP2.48
Rot. Bonds6

About 1-cyclopropyl-N-[(5-ethylthiophen-2-yl)methyl]-N-methylethane-1,2-diamine

1-cyclopropyl-N-[(5-ethylthiophen-2-yl)methyl]-N-methylethane-1,2-diamine (PubChem CID 116651199) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is 1-cyclopropyl-N-[(5-ethylthiophen-2-yl)methyl]-N-methylethane-1,2-diamine.

Molecular Properties

Compound Name1-cyclopropyl-N-[(5-ethylthiophen-2-yl)methyl]-N-methylethane-1,2-diamine
PubChem CID116651199
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC Name1-cyclopropyl-N-[(5-ethylthiophen-2-yl)methyl]-N-methylethane-1,2-diamine
SMILESCCc1ccc(CN(C)C(CN)C2CC2)s1
InChIInChI=1S/C13H22N2S/c1-3-11-6-7-12(16-11)9-15(2)13(8-14)10-4-5-10/h6-7,10,13H,3-5,8-9,14H2,1-2H3
InChIKeyYRCKLTXACPCVQA-UHFFFAOYSA-N
XLogP2.48
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[(5-ethylthiophen-2-yl)methyl]-N-methylethane-1,2-diamine?
The IUPAC name of 1-cyclopropyl-N-[(5-ethylthiophen-2-yl)methyl]-N-methylethane-1,2-diamine (CID 116651199) is 1-cyclopropyl-N-[(5-ethylthiophen-2-yl)methyl]-N-methylethane-1,2-diamine.
What is the SMILES notation for 1-cyclopropyl-N-[(5-ethylthiophen-2-yl)methyl]-N-methylethane-1,2-diamine?
The canonical SMILES for 1-cyclopropyl-N-[(5-ethylthiophen-2-yl)methyl]-N-methylethane-1,2-diamine is CCc1ccc(CN(C)C(CN)C2CC2)s1.
What is the InChIKey of 1-cyclopropyl-N-[(5-ethylthiophen-2-yl)methyl]-N-methylethane-1,2-diamine?
The InChIKey is YRCKLTXACPCVQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-3-11-6-7-12(16-11)9-15(2)13(8-14)10-4-5-10/h6-7,10,13H,3-5,8-9,14H2,1-2H3.
What are the key properties of 1-cyclopropyl-N-[(5-ethylthiophen-2-yl)methyl]-N-methylethane-1,2-diamine?
1-cyclopropyl-N-[(5-ethylthiophen-2-yl)methyl]-N-methylethane-1,2-diamine has a molecular weight of 238.40 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[(5-ethylthiophen-2-yl)methyl]-N-methylethane-1,2-diamine is sourced from PubChem (CID 116651199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).