4-(5-propylthiophen-2-yl)hexan-1-amine

C13H23NS — CID 83929486

IUPAC4-(5-propylthiophen-2-yl)hexan-1-amine
SMILESCCCc1ccc(C(CC)CCCN)s1
InChIInChI=1S/C13H23NS/c1-3-6-12-8-9-13(15-12)11(4-2)7-5-10-14/h8-9,11H,3-7,10,14H2,1-2H3
InChIKeyJPRRDBIUWWOBIL-UHFFFAOYSA-N
MW225.40 g/mol
LogP3.93
Rot. Bonds7

About 4-(5-propylthiophen-2-yl)hexan-1-amine

4-(5-propylthiophen-2-yl)hexan-1-amine (PubChem CID 83929486) has the molecular formula C13H23NS and a molecular weight of 225.40 g/mol. Its IUPAC name is 4-(5-propylthiophen-2-yl)hexan-1-amine.

Molecular Properties

Compound Name4-(5-propylthiophen-2-yl)hexan-1-amine
PubChem CID83929486
Molecular FormulaC13H23NS
Molecular Weight225.40 g/mol
Exact Mass225.16
IUPAC Name4-(5-propylthiophen-2-yl)hexan-1-amine
SMILESCCCc1ccc(C(CC)CCCN)s1
InChIInChI=1S/C13H23NS/c1-3-6-12-8-9-13(15-12)11(4-2)7-5-10-14/h8-9,11H,3-7,10,14H2,1-2H3
InChIKeyJPRRDBIUWWOBIL-UHFFFAOYSA-N
XLogP3.93
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 ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(5-propylthiophen-2-yl)hexan-1-amine?
The IUPAC name of 4-(5-propylthiophen-2-yl)hexan-1-amine (CID 83929486) is 4-(5-propylthiophen-2-yl)hexan-1-amine.
What is the SMILES notation for 4-(5-propylthiophen-2-yl)hexan-1-amine?
The canonical SMILES for 4-(5-propylthiophen-2-yl)hexan-1-amine is CCCc1ccc(C(CC)CCCN)s1.
What is the InChIKey of 4-(5-propylthiophen-2-yl)hexan-1-amine?
The InChIKey is JPRRDBIUWWOBIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NS/c1-3-6-12-8-9-13(15-12)11(4-2)7-5-10-14/h8-9,11H,3-7,10,14H2,1-2H3.
What are the key properties of 4-(5-propylthiophen-2-yl)hexan-1-amine?
4-(5-propylthiophen-2-yl)hexan-1-amine has a molecular weight of 225.40 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-propylthiophen-2-yl)hexan-1-amine is sourced from PubChem (CID 83929486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).