N-methyl-N-(4H-thieno[3,2-b]pyrrol-2-ylmethyl)cyclohexanamine

C14H20N2S — CID 90046215

IUPACN-methyl-N-(4H-thieno[3,2-b]pyrrol-2-ylmethyl)cyclohexanamine
SMILESCN(Cc1cc2[nH]ccc2s1)C1CCCCC1
InChIInChI=1S/C14H20N2S/c1-16(11-5-3-2-4-6-11)10-12-9-13-14(17-12)7-8-15-13/h7-9,11,15H,2-6,10H2,1H3
InChIKeyNUTLVGOXULXISL-UHFFFAOYSA-N
MW248.39 g/mol
LogP3.99
Rot. Bonds3

About N-methyl-N-(4H-thieno[3,2-b]pyrrol-2-ylmethyl)cyclohexanamine

N-methyl-N-(4H-thieno[3,2-b]pyrrol-2-ylmethyl)cyclohexanamine (PubChem CID 90046215) has the molecular formula C14H20N2S and a molecular weight of 248.39 g/mol. Its IUPAC name is N-methyl-N-(4H-thieno[3,2-b]pyrrol-2-ylmethyl)cyclohexanamine.

Molecular Properties

Compound NameN-methyl-N-(4H-thieno[3,2-b]pyrrol-2-ylmethyl)cyclohexanamine
PubChem CID90046215
Molecular FormulaC14H20N2S
Molecular Weight248.39 g/mol
Exact Mass248.13
IUPAC NameN-methyl-N-(4H-thieno[3,2-b]pyrrol-2-ylmethyl)cyclohexanamine
SMILESCN(Cc1cc2[nH]ccc2s1)C1CCCCC1
InChIInChI=1S/C14H20N2S/c1-16(11-5-3-2-4-6-11)10-12-9-13-14(17-12)7-8-15-13/h7-9,11,15H,2-6,10H2,1H3
InChIKeyNUTLVGOXULXISL-UHFFFAOYSA-N
XLogP3.99
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4H-thieno[3,2-b]pyrrol-2-ylmethyl)cyclohexanamine?
The IUPAC name of N-methyl-N-(4H-thieno[3,2-b]pyrrol-2-ylmethyl)cyclohexanamine (CID 90046215) is N-methyl-N-(4H-thieno[3,2-b]pyrrol-2-ylmethyl)cyclohexanamine.
What is the SMILES notation for N-methyl-N-(4H-thieno[3,2-b]pyrrol-2-ylmethyl)cyclohexanamine?
The canonical SMILES for N-methyl-N-(4H-thieno[3,2-b]pyrrol-2-ylmethyl)cyclohexanamine is CN(Cc1cc2[nH]ccc2s1)C1CCCCC1.
What is the InChIKey of N-methyl-N-(4H-thieno[3,2-b]pyrrol-2-ylmethyl)cyclohexanamine?
The InChIKey is NUTLVGOXULXISL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2S/c1-16(11-5-3-2-4-6-11)10-12-9-13-14(17-12)7-8-15-13/h7-9,11,15H,2-6,10H2,1H3.
What are the key properties of N-methyl-N-(4H-thieno[3,2-b]pyrrol-2-ylmethyl)cyclohexanamine?
N-methyl-N-(4H-thieno[3,2-b]pyrrol-2-ylmethyl)cyclohexanamine has a molecular weight of 248.39 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4H-thieno[3,2-b]pyrrol-2-ylmethyl)cyclohexanamine is sourced from PubChem (CID 90046215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).