3-ethyl-1-thiophen-3-ylheptan-3-amine

C13H23NS — CID 65020365

IUPAC3-ethyl-1-thiophen-3-ylheptan-3-amine
SMILESCCCCC(N)(CC)CCc1ccsc1
InChIInChI=1S/C13H23NS/c1-3-5-8-13(14,4-2)9-6-12-7-10-15-11-12/h7,10-11H,3-6,8-9,14H2,1-2H3
InChIKeyVUHNWBWVXLHVKV-UHFFFAOYSA-N
MW225.40 g/mol
LogP3.98
Rot. Bonds7

About 3-ethyl-1-thiophen-3-ylheptan-3-amine

3-ethyl-1-thiophen-3-ylheptan-3-amine (PubChem CID 65020365) has the molecular formula C13H23NS and a molecular weight of 225.40 g/mol. Its IUPAC name is 3-ethyl-1-thiophen-3-ylheptan-3-amine.

Molecular Properties

Compound Name3-ethyl-1-thiophen-3-ylheptan-3-amine
PubChem CID65020365
Molecular FormulaC13H23NS
Molecular Weight225.40 g/mol
Exact Mass225.16
IUPAC Name3-ethyl-1-thiophen-3-ylheptan-3-amine
SMILESCCCCC(N)(CC)CCc1ccsc1
InChIInChI=1S/C13H23NS/c1-3-5-8-13(14,4-2)9-6-12-7-10-15-11-12/h7,10-11H,3-6,8-9,14H2,1-2H3
InChIKeyVUHNWBWVXLHVKV-UHFFFAOYSA-N
XLogP3.98
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.40
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-heptylthiophene;3-hexylthiophene
CID 159152668
1-thiophen-3-ylnonan-3-amine
CID 115857036
azane;3-propylthiophene
CID 174446539
2-methyl-3-(thiophen-3-ylmethyl)pentan-3-amine
CID 62622769
3-[3-(chloromethyl)-3-ethylpentyl]thiophene
CID 66034934
2-ethyl-2-(2-thiophen-3-ylethyl)propane-1,3-diol
CID 79450472
2-ethyl-N-methyl-2-(thiophen-3-ylmethyl)hexan-1-amine
CID 62723225
N-(2-thiophen-3-ylethyl)butan-1-amine
CID 60751767
2-methyl-2-(thiophen-3-ylmethyl)butan-1-amine
CID 62723704
1-phenyl-2-(thiophen-3-ylmethyl)butan-2-amine
CID 79008468
3-ethylheptan-3-amine
CID 12708037
3-heptylthiophene;oxaldehyde
CID 175169306

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-thiophen-3-ylheptan-3-amine?
The IUPAC name of 3-ethyl-1-thiophen-3-ylheptan-3-amine (CID 65020365) is 3-ethyl-1-thiophen-3-ylheptan-3-amine.
What is the SMILES notation for 3-ethyl-1-thiophen-3-ylheptan-3-amine?
The canonical SMILES for 3-ethyl-1-thiophen-3-ylheptan-3-amine is CCCCC(N)(CC)CCc1ccsc1.
What is the InChIKey of 3-ethyl-1-thiophen-3-ylheptan-3-amine?
The InChIKey is VUHNWBWVXLHVKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NS/c1-3-5-8-13(14,4-2)9-6-12-7-10-15-11-12/h7,10-11H,3-6,8-9,14H2,1-2H3.
What are the key properties of 3-ethyl-1-thiophen-3-ylheptan-3-amine?
3-ethyl-1-thiophen-3-ylheptan-3-amine has a molecular weight of 225.40 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-thiophen-3-ylheptan-3-amine is sourced from PubChem (CID 65020365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).