1-(5-ethylthiophen-2-yl)-3,3-dimethylpentan-2-amine

C13H23NS — CID 115842630

IUPAC1-(5-ethylthiophen-2-yl)-3,3-dimethylpentan-2-amine
SMILESCCc1ccc(CC(N)C(C)(C)CC)s1
InChIInChI=1S/C13H23NS/c1-5-10-7-8-11(15-10)9-12(14)13(3,4)6-2/h7-8,12H,5-6,9,14H2,1-4H3
InChIKeyYHQZSPTUCKUBDT-UHFFFAOYSA-N
MW225.40 g/mol
LogP3.62
Rot. Bonds5

About 1-(5-ethylthiophen-2-yl)-3,3-dimethylpentan-2-amine

1-(5-ethylthiophen-2-yl)-3,3-dimethylpentan-2-amine (PubChem CID 115842630) has the molecular formula C13H23NS and a molecular weight of 225.40 g/mol. Its IUPAC name is 1-(5-ethylthiophen-2-yl)-3,3-dimethylpentan-2-amine.

Molecular Properties

Compound Name1-(5-ethylthiophen-2-yl)-3,3-dimethylpentan-2-amine
PubChem CID115842630
Molecular FormulaC13H23NS
Molecular Weight225.40 g/mol
Exact Mass225.16
IUPAC Name1-(5-ethylthiophen-2-yl)-3,3-dimethylpentan-2-amine
SMILESCCc1ccc(CC(N)C(C)(C)CC)s1
InChIInChI=1S/C13H23NS/c1-5-10-7-8-11(15-10)9-12(14)13(3,4)6-2/h7-8,12H,5-6,9,14H2,1-4H3
InChIKeyYHQZSPTUCKUBDT-UHFFFAOYSA-N
XLogP3.62
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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

3-ethyl-1-(5-ethylthiophen-2-yl)-3-phenylpentan-2-amine
CID 63417545
3-ethyl-1-(5-ethylthiophen-2-yl)pentan-2-amine
CID 115842663
2,5-diethylthiophene
CID 521294
tert-butyl 2-amino-3-(5-ethylthiophen-2-yl)propanoate
CID 83226704
1-(5-ethylthiophen-2-yl)-5,5,5-trifluoropentan-2-amine
CID 79952744
1-N-[(5-ethylthiophen-2-yl)methyl]-3,3-dimethylbutane-1,2-diamine
CID 106012081
2-[2-(bromomethyl)-3,3-dimethylbutyl]-5-ethylthiophene
CID 83142800
2-amino-3-(5-ethylthiophen-2-yl)propanamide
CID 64990824
1-(5-ethylthiophen-2-yl)-3-(4-methoxyphenyl)propan-2-amine
CID 62602516
1-(5-ethylthiophen-2-yl)-2,3-dimethylbutan-2-amine
CID 62622020
[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

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethylthiophen-2-yl)-3,3-dimethylpentan-2-amine?
The IUPAC name of 1-(5-ethylthiophen-2-yl)-3,3-dimethylpentan-2-amine (CID 115842630) is 1-(5-ethylthiophen-2-yl)-3,3-dimethylpentan-2-amine.
What is the SMILES notation for 1-(5-ethylthiophen-2-yl)-3,3-dimethylpentan-2-amine?
The canonical SMILES for 1-(5-ethylthiophen-2-yl)-3,3-dimethylpentan-2-amine is CCc1ccc(CC(N)C(C)(C)CC)s1.
What is the InChIKey of 1-(5-ethylthiophen-2-yl)-3,3-dimethylpentan-2-amine?
The InChIKey is YHQZSPTUCKUBDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NS/c1-5-10-7-8-11(15-10)9-12(14)13(3,4)6-2/h7-8,12H,5-6,9,14H2,1-4H3.
What are the key properties of 1-(5-ethylthiophen-2-yl)-3,3-dimethylpentan-2-amine?
1-(5-ethylthiophen-2-yl)-3,3-dimethylpentan-2-amine has a molecular weight of 225.40 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethylthiophen-2-yl)-3,3-dimethylpentan-2-amine is sourced from PubChem (CID 115842630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).