3,3-dimethyl-N-propyl-5-thiophen-3-ylpentan-1-amine

C14H25NS — CID 81022227

IUPAC3,3-dimethyl-N-propyl-5-thiophen-3-ylpentan-1-amine
SMILESCCCNCCC(C)(C)CCc1ccsc1
InChIInChI=1S/C14H25NS/c1-4-9-15-10-8-14(2,3)7-5-13-6-11-16-12-13/h6,11-12,15H,4-5,7-10H2,1-3H3
InChIKeyFAZYWWJUABHXCZ-UHFFFAOYSA-N
MW239.43 g/mol
LogP4.10
Rot. Bonds8

About 3,3-dimethyl-N-propyl-5-thiophen-3-ylpentan-1-amine

3,3-dimethyl-N-propyl-5-thiophen-3-ylpentan-1-amine (PubChem CID 81022227) has the molecular formula C14H25NS and a molecular weight of 239.43 g/mol. Its IUPAC name is 3,3-dimethyl-N-propyl-5-thiophen-3-ylpentan-1-amine.

Molecular Properties

Compound Name3,3-dimethyl-N-propyl-5-thiophen-3-ylpentan-1-amine
PubChem CID81022227
Molecular FormulaC14H25NS
Molecular Weight239.43 g/mol
Exact Mass239.17
IUPAC Name3,3-dimethyl-N-propyl-5-thiophen-3-ylpentan-1-amine
SMILESCCCNCCC(C)(C)CCc1ccsc1
InChIInChI=1S/C14H25NS/c1-4-9-15-10-8-14(2,3)7-5-13-6-11-16-12-13/h6,11-12,15H,4-5,7-10H2,1-3H3
InChIKeyFAZYWWJUABHXCZ-UHFFFAOYSA-N
XLogP4.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.43
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-1-(propylamino)-4-thiophen-3-ylbutan-2-ol
CID 66038426
2-methyl-N-propyl-2-(2-thiophen-3-ylethyl)but-3-en-1-amine
CID 102640854
3,3-dimethyl-N-propyl-2-(2-thiophen-3-ylethyl)butan-1-amine
CID 83139408
N-(2-thiophen-3-ylethyl)butan-1-amine
CID 60751767
1-(2-methoxyethylamino)-3-methyl-5-thiophen-3-ylpentan-3-ol
CID 66003686
N-(2-thiophen-3-ylethyl)decan-1-amine
CID 55194660
5-(4-fluoro-3,5-dimethylphenyl)-3,3-dimethyl-N-propylpentan-1-amine
CID 65308821
2-methyl-1-(propylamino)-3-thiophen-3-ylpropan-2-ol
CID 66037007
2-(propylamino)-N-(2-thiophen-3-ylethyl)ethanesulfonamide
CID 114140725
3,3-dimethyl-4-(2-thiophen-3-ylethylamino)butan-1-ol
CID 106146521
azane;3-propylthiophene
CID 174446539
3,4-dimethyl-1-thiophen-3-ylpentan-3-ol
CID 65146406

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-propyl-5-thiophen-3-ylpentan-1-amine?
The IUPAC name of 3,3-dimethyl-N-propyl-5-thiophen-3-ylpentan-1-amine (CID 81022227) is 3,3-dimethyl-N-propyl-5-thiophen-3-ylpentan-1-amine.
What is the SMILES notation for 3,3-dimethyl-N-propyl-5-thiophen-3-ylpentan-1-amine?
The canonical SMILES for 3,3-dimethyl-N-propyl-5-thiophen-3-ylpentan-1-amine is CCCNCCC(C)(C)CCc1ccsc1.
What is the InChIKey of 3,3-dimethyl-N-propyl-5-thiophen-3-ylpentan-1-amine?
The InChIKey is FAZYWWJUABHXCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NS/c1-4-9-15-10-8-14(2,3)7-5-13-6-11-16-12-13/h6,11-12,15H,4-5,7-10H2,1-3H3.
What are the key properties of 3,3-dimethyl-N-propyl-5-thiophen-3-ylpentan-1-amine?
3,3-dimethyl-N-propyl-5-thiophen-3-ylpentan-1-amine has a molecular weight of 239.43 g/mol, XLogP of 4.10, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-propyl-5-thiophen-3-ylpentan-1-amine is sourced from PubChem (CID 81022227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).