1-(3-ethylthiophen-2-yl)-4,4-dimethylpentan-1-amine

C13H23NS — CID 115849809

IUPAC1-(3-ethylthiophen-2-yl)-4,4-dimethylpentan-1-amine
SMILESCCc1ccsc1C(N)CCC(C)(C)C
InChIInChI=1S/C13H23NS/c1-5-10-7-9-15-12(10)11(14)6-8-13(2,3)4/h7,9,11H,5-6,8,14H2,1-4H3
InChIKeyYMPKZGRPZGLVOC-UHFFFAOYSA-N
MW225.40 g/mol
LogP4.14
Rot. Bonds4

About 1-(3-ethylthiophen-2-yl)-4,4-dimethylpentan-1-amine

1-(3-ethylthiophen-2-yl)-4,4-dimethylpentan-1-amine (PubChem CID 115849809) has the molecular formula C13H23NS and a molecular weight of 225.40 g/mol. Its IUPAC name is 1-(3-ethylthiophen-2-yl)-4,4-dimethylpentan-1-amine.

Molecular Properties

Compound Name1-(3-ethylthiophen-2-yl)-4,4-dimethylpentan-1-amine
PubChem CID115849809
Molecular FormulaC13H23NS
Molecular Weight225.40 g/mol
Exact Mass225.16
IUPAC Name1-(3-ethylthiophen-2-yl)-4,4-dimethylpentan-1-amine
SMILESCCc1ccsc1C(N)CCC(C)(C)C
InChIInChI=1S/C13H23NS/c1-5-10-7-9-15-12(10)11(14)6-8-13(2,3)4/h7,9,11H,5-6,8,14H2,1-4H3
InChIKeyYMPKZGRPZGLVOC-UHFFFAOYSA-N
XLogP4.14
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.40
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-ethylthiophen-2-yl)hexan-1-amine
CID 115837119
1-(3-ethylthiophen-2-yl)-N,4,4-trimethylpentan-1-amine
CID 115849879
2-cyclopropyl-1-(3-ethylthiophen-2-yl)ethanamine
CID 104986347
2-cyclobutyl-1-(3-ethylthiophen-2-yl)ethanamine
CID 115863467
2-(2,6-dimethylphenyl)-1-(3-ethylthiophen-2-yl)ethanamine
CID 105024445
4,4-dimethyl-1-thieno[3,2-b]thiophen-5-ylpentan-1-amine
CID 115850208
1-(3-ethylthiophen-2-yl)prop-2-yn-1-amine
CID 104995454
(3-ethylthiophen-2-yl)-thiophen-3-ylmethanamine
CID 104988308
ethane;3-ethyl-2-propan-2-ylthiophene
CID 153374658
2-(dichloromethyl)-3-ethylthiophene
CID 14685355
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(3-ethylthiophen-2-yl)ethanamine
CID 105019639
(1S)-3-amino-1-(3-ethylthiophen-2-yl)propan-1-ol
CID 96854417

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylthiophen-2-yl)-4,4-dimethylpentan-1-amine?
The IUPAC name of 1-(3-ethylthiophen-2-yl)-4,4-dimethylpentan-1-amine (CID 115849809) is 1-(3-ethylthiophen-2-yl)-4,4-dimethylpentan-1-amine.
What is the SMILES notation for 1-(3-ethylthiophen-2-yl)-4,4-dimethylpentan-1-amine?
The canonical SMILES for 1-(3-ethylthiophen-2-yl)-4,4-dimethylpentan-1-amine is CCc1ccsc1C(N)CCC(C)(C)C.
What is the InChIKey of 1-(3-ethylthiophen-2-yl)-4,4-dimethylpentan-1-amine?
The InChIKey is YMPKZGRPZGLVOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NS/c1-5-10-7-9-15-12(10)11(14)6-8-13(2,3)4/h7,9,11H,5-6,8,14H2,1-4H3.
What are the key properties of 1-(3-ethylthiophen-2-yl)-4,4-dimethylpentan-1-amine?
1-(3-ethylthiophen-2-yl)-4,4-dimethylpentan-1-amine has a molecular weight of 225.40 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylthiophen-2-yl)-4,4-dimethylpentan-1-amine is sourced from PubChem (CID 115849809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).