5-(5-bromo-4-methylthiophen-2-yl)-3,3-dimethyl-N-propylpentan-1-amine

C15H26BrNS — CID 79990855

IUPAC5-(5-bromo-4-methylthiophen-2-yl)-3,3-dimethyl-N-propylpentan-1-amine
SMILESCCCNCCC(C)(C)CCc1cc(C)c(Br)s1
InChIInChI=1S/C15H26BrNS/c1-5-9-17-10-8-15(3,4)7-6-13-11-12(2)14(16)18-13/h11,17H,5-10H2,1-4H3
InChIKeyVAKUTZZGMPOCJE-UHFFFAOYSA-N
MW332.35 g/mol
LogP5.17
Rot. Bonds8

About 5-(5-bromo-4-methylthiophen-2-yl)-3,3-dimethyl-N-propylpentan-1-amine

5-(5-bromo-4-methylthiophen-2-yl)-3,3-dimethyl-N-propylpentan-1-amine (PubChem CID 79990855) has the molecular formula C15H26BrNS and a molecular weight of 332.35 g/mol. Its IUPAC name is 5-(5-bromo-4-methylthiophen-2-yl)-3,3-dimethyl-N-propylpentan-1-amine.

Molecular Properties

Compound Name5-(5-bromo-4-methylthiophen-2-yl)-3,3-dimethyl-N-propylpentan-1-amine
PubChem CID79990855
Molecular FormulaC15H26BrNS
Molecular Weight332.35 g/mol
Exact Mass331.10
IUPAC Name5-(5-bromo-4-methylthiophen-2-yl)-3,3-dimethyl-N-propylpentan-1-amine
SMILESCCCNCCC(C)(C)CCc1cc(C)c(Br)s1
InChIInChI=1S/C15H26BrNS/c1-5-9-17-10-8-15(3,4)7-6-13-11-12(2)14(16)18-13/h11,17H,5-10H2,1-4H3
InChIKeyVAKUTZZGMPOCJE-UHFFFAOYSA-N
XLogP5.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.35
LogP ≤ 55.17
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

5-(5-bromo-4-chlorothiophen-2-yl)-N-ethyl-3,3-dimethylpentan-1-amine
CID 80532626
5-(4,5-dibromothiophen-2-yl)-3,3-dimethyl-N-(2-methylpropyl)pentan-1-amine
CID 80535233
5-(4-fluoro-3,5-dimethylphenyl)-3,3-dimethyl-N-propylpentan-1-amine
CID 65308821
3,3-dimethyl-N-propyl-5-(2,4,6-trichlorophenyl)pentan-1-amine
CID 105350355
5-(5-chloro-4-methylthiophen-2-yl)-N,3,3-trimethylpentan-1-amine
CID 102765220
3-(5-bromo-4-methylthiophen-2-yl)-N-ethyl-3-methylbutan-1-amine
CID 79990859
N-[(5-bromo-4-methylthiophen-2-yl)methyl]ethanamine
CID 79982113
N-[(5-bromo-4-methylthiophen-2-yl)methyl]-2-methylpropan-2-amine
CID 79981229
2-[(5-bromo-4-methylthiophen-2-yl)methylamino]-2-methylpentan-1-ol
CID 115710888
6-(5-bromo-4-methylthiophen-2-yl)-N-(2-methoxyethyl)hexan-1-amine
CID 79992354
3,3-dimethyl-N-propyl-5-thiophen-3-ylpentan-1-amine
CID 81022227
2,2-dimethyl-4-(5-methylthiophen-2-yl)-N-propylbutan-1-amine
CID 65308375

Frequently Asked Questions

What is the IUPAC name of 5-(5-bromo-4-methylthiophen-2-yl)-3,3-dimethyl-N-propylpentan-1-amine?
The IUPAC name of 5-(5-bromo-4-methylthiophen-2-yl)-3,3-dimethyl-N-propylpentan-1-amine (CID 79990855) is 5-(5-bromo-4-methylthiophen-2-yl)-3,3-dimethyl-N-propylpentan-1-amine.
What is the SMILES notation for 5-(5-bromo-4-methylthiophen-2-yl)-3,3-dimethyl-N-propylpentan-1-amine?
The canonical SMILES for 5-(5-bromo-4-methylthiophen-2-yl)-3,3-dimethyl-N-propylpentan-1-amine is CCCNCCC(C)(C)CCc1cc(C)c(Br)s1.
What is the InChIKey of 5-(5-bromo-4-methylthiophen-2-yl)-3,3-dimethyl-N-propylpentan-1-amine?
The InChIKey is VAKUTZZGMPOCJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26BrNS/c1-5-9-17-10-8-15(3,4)7-6-13-11-12(2)14(16)18-13/h11,17H,5-10H2,1-4H3.
What are the key properties of 5-(5-bromo-4-methylthiophen-2-yl)-3,3-dimethyl-N-propylpentan-1-amine?
5-(5-bromo-4-methylthiophen-2-yl)-3,3-dimethyl-N-propylpentan-1-amine has a molecular weight of 332.35 g/mol, XLogP of 5.17, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromo-4-methylthiophen-2-yl)-3,3-dimethyl-N-propylpentan-1-amine is sourced from PubChem (CID 79990855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).