N-[(3-ethylthiophen-2-yl)methyl]-1-(3-methylpyrrolidin-2-yl)methanamine

C13H22N2S — CID 102776135

IUPACN-[(3-ethylthiophen-2-yl)methyl]-1-(3-methylpyrrolidin-2-yl)methanamine
SMILESCCc1ccsc1CNCC1NCCC1C
InChIInChI=1S/C13H22N2S/c1-3-11-5-7-16-13(11)9-14-8-12-10(2)4-6-15-12/h5,7,10,12,14-15H,3-4,6,8-9H2,1-2H3
InChIKeyNPECCSRKDVEKGH-UHFFFAOYSA-N
MW238.40 g/mol
LogP2.40
Rot. Bonds5

About N-[(3-ethylthiophen-2-yl)methyl]-1-(3-methylpyrrolidin-2-yl)methanamine

N-[(3-ethylthiophen-2-yl)methyl]-1-(3-methylpyrrolidin-2-yl)methanamine (PubChem CID 102776135) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is N-[(3-ethylthiophen-2-yl)methyl]-1-(3-methylpyrrolidin-2-yl)methanamine.

Molecular Properties

Compound NameN-[(3-ethylthiophen-2-yl)methyl]-1-(3-methylpyrrolidin-2-yl)methanamine
PubChem CID102776135
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC NameN-[(3-ethylthiophen-2-yl)methyl]-1-(3-methylpyrrolidin-2-yl)methanamine
SMILESCCc1ccsc1CNCC1NCCC1C
InChIInChI=1S/C13H22N2S/c1-3-11-5-7-16-13(11)9-14-8-12-10(2)4-6-15-12/h5,7,10,12,14-15H,3-4,6,8-9H2,1-2H3
InChIKeyNPECCSRKDVEKGH-UHFFFAOYSA-N
XLogP2.40
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-ethylthiophen-2-yl)methyl]-1-(3-methylpyrrolidin-2-yl)methanamine?
The IUPAC name of N-[(3-ethylthiophen-2-yl)methyl]-1-(3-methylpyrrolidin-2-yl)methanamine (CID 102776135) is N-[(3-ethylthiophen-2-yl)methyl]-1-(3-methylpyrrolidin-2-yl)methanamine.
What is the SMILES notation for N-[(3-ethylthiophen-2-yl)methyl]-1-(3-methylpyrrolidin-2-yl)methanamine?
The canonical SMILES for N-[(3-ethylthiophen-2-yl)methyl]-1-(3-methylpyrrolidin-2-yl)methanamine is CCc1ccsc1CNCC1NCCC1C.
What is the InChIKey of N-[(3-ethylthiophen-2-yl)methyl]-1-(3-methylpyrrolidin-2-yl)methanamine?
The InChIKey is NPECCSRKDVEKGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-3-11-5-7-16-13(11)9-14-8-12-10(2)4-6-15-12/h5,7,10,12,14-15H,3-4,6,8-9H2,1-2H3.
What are the key properties of N-[(3-ethylthiophen-2-yl)methyl]-1-(3-methylpyrrolidin-2-yl)methanamine?
N-[(3-ethylthiophen-2-yl)methyl]-1-(3-methylpyrrolidin-2-yl)methanamine has a molecular weight of 238.40 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethylthiophen-2-yl)methyl]-1-(3-methylpyrrolidin-2-yl)methanamine is sourced from PubChem (CID 102776135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).