3-ethyl-1-(5-ethylthiophen-2-yl)pentan-2-amine

C13H23NS — CID 115842663

IUPAC3-ethyl-1-(5-ethylthiophen-2-yl)pentan-2-amine
SMILESCCc1ccc(CC(N)C(CC)CC)s1
InChIInChI=1S/C13H23NS/c1-4-10(5-2)13(14)9-12-8-7-11(6-3)15-12/h7-8,10,13H,4-6,9,14H2,1-3H3
InChIKeyKGQZRFKFEOKDMK-UHFFFAOYSA-N
MW225.40 g/mol
LogP3.62
Rot. Bonds6

About 3-ethyl-1-(5-ethylthiophen-2-yl)pentan-2-amine

3-ethyl-1-(5-ethylthiophen-2-yl)pentan-2-amine (PubChem CID 115842663) has the molecular formula C13H23NS and a molecular weight of 225.40 g/mol. Its IUPAC name is 3-ethyl-1-(5-ethylthiophen-2-yl)pentan-2-amine.

Molecular Properties

Compound Name3-ethyl-1-(5-ethylthiophen-2-yl)pentan-2-amine
PubChem CID115842663
Molecular FormulaC13H23NS
Molecular Weight225.40 g/mol
Exact Mass225.16
IUPAC Name3-ethyl-1-(5-ethylthiophen-2-yl)pentan-2-amine
SMILESCCc1ccc(CC(N)C(CC)CC)s1
InChIInChI=1S/C13H23NS/c1-4-10(5-2)13(14)9-12-8-7-11(6-3)15-12/h7-8,10,13H,4-6,9,14H2,1-3H3
InChIKeyKGQZRFKFEOKDMK-UHFFFAOYSA-N
XLogP3.62
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.40
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-ethylthiophen-2-yl)-3,3-dimethylpentan-2-amine
CID 115842630
3-cyclopropyl-1-(5-ethylthiophen-2-yl)butan-2-amine
CID 115842635
1-(5-ethylthiophen-2-yl)-3-methylsulfonylbutan-2-amine
CID 115842626
2,5-diethylthiophene
CID 521294
N-ethyl-3-[(5-ethylthiophen-2-yl)methyl]pentan-2-amine
CID 60999156
1-[5-(2-aminobutyl)thiophen-2-yl]butan-2-amine;hydrochloride
CID 170888988
2-amino-3-(5-ethylthiophen-2-yl)propanamide
CID 64990824
1-(5-ethylthiophen-2-yl)tridecan-2-amine
CID 115842421
[3-(5-ethylthiophen-2-yl)-1,1,1-trifluoropropan-2-yl]hydrazine
CID 105215725
2-(5-ethylthiophen-2-yl)-1-(4-propan-2-ylphenyl)ethanamine
CID 63414215
tert-butyl 2-amino-3-(5-ethylthiophen-2-yl)propanoate
CID 83226704
4-amino-1-(5-ethylthiophen-2-yl)pentan-2-one
CID 116556032

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(5-ethylthiophen-2-yl)pentan-2-amine?
The IUPAC name of 3-ethyl-1-(5-ethylthiophen-2-yl)pentan-2-amine (CID 115842663) is 3-ethyl-1-(5-ethylthiophen-2-yl)pentan-2-amine.
What is the SMILES notation for 3-ethyl-1-(5-ethylthiophen-2-yl)pentan-2-amine?
The canonical SMILES for 3-ethyl-1-(5-ethylthiophen-2-yl)pentan-2-amine is CCc1ccc(CC(N)C(CC)CC)s1.
What is the InChIKey of 3-ethyl-1-(5-ethylthiophen-2-yl)pentan-2-amine?
The InChIKey is KGQZRFKFEOKDMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NS/c1-4-10(5-2)13(14)9-12-8-7-11(6-3)15-12/h7-8,10,13H,4-6,9,14H2,1-3H3.
What are the key properties of 3-ethyl-1-(5-ethylthiophen-2-yl)pentan-2-amine?
3-ethyl-1-(5-ethylthiophen-2-yl)pentan-2-amine has a molecular weight of 225.40 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(5-ethylthiophen-2-yl)pentan-2-amine is sourced from PubChem (CID 115842663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).