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

C14H24BrNS — CID 114874529

IUPAC1-(5-bromo-4-methylthiophen-2-yl)-3-methyl-N-propylpentan-1-amine
SMILESCCCNC(CC(C)CC)c1cc(C)c(Br)s1
InChIInChI=1S/C14H24BrNS/c1-5-7-16-12(8-10(3)6-2)13-9-11(4)14(15)17-13/h9-10,12,16H,5-8H2,1-4H3
InChIKeyDDMPEZVCMDAXIC-UHFFFAOYSA-N
MW318.32 g/mol
LogP5.30
Rot. Bonds7

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

1-(5-bromo-4-methylthiophen-2-yl)-3-methyl-N-propylpentan-1-amine (PubChem CID 114874529) has the molecular formula C14H24BrNS and a molecular weight of 318.32 g/mol. Its IUPAC name is 1-(5-bromo-4-methylthiophen-2-yl)-3-methyl-N-propylpentan-1-amine.

Molecular Properties

Compound Name1-(5-bromo-4-methylthiophen-2-yl)-3-methyl-N-propylpentan-1-amine
PubChem CID114874529
Molecular FormulaC14H24BrNS
Molecular Weight318.32 g/mol
Exact Mass317.08
IUPAC Name1-(5-bromo-4-methylthiophen-2-yl)-3-methyl-N-propylpentan-1-amine
SMILESCCCNC(CC(C)CC)c1cc(C)c(Br)s1
InChIInChI=1S/C14H24BrNS/c1-5-7-16-12(8-10(3)6-2)13-9-11(4)14(15)17-13/h9-10,12,16H,5-8H2,1-4H3
InChIKeyDDMPEZVCMDAXIC-UHFFFAOYSA-N
XLogP5.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.32
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-4-methylthiophen-2-yl)-N-propylbutan-1-amine
CID 79991988
1-(4-bromo-3,5-dimethylphenyl)-3-methyl-N-propylpentan-1-amine
CID 114330805
1-(5-bromo-2-methylphenyl)-3-methyl-N-propylpentan-1-amine
CID 115846083
N-[1-(5-bromo-4-methylthiophen-2-yl)-2-(4-fluoro-2-methylphenyl)ethyl]propan-1-amine
CID 105050942
1-(5-bromo-4-methylthiophen-2-yl)-N-methylpropan-1-amine
CID 79991964
N-[1-(5-bromo-4-methylthiophen-2-yl)-2-(5-bromo-3-pyridinyl)ethyl]propan-1-amine
CID 105036582
1-(5-bromo-4-methylthiophen-2-yl)-3-(2,2-difluoroethoxy)-N-propylpropan-1-amine
CID 103207729
N-[1-(5-bromo-4-methylthiophen-2-yl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 105030306
N-[1-(5-bromo-4-methylthiophen-2-yl)propyl]hydroxylamine
CID 130143336
N-[1-(5-bromo-4-methylthiophen-2-yl)-2-(2-chloro-4-methylphenyl)ethyl]propan-1-amine
CID 106867945
N-[1-(5-bromo-4-methylthiophen-2-yl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine
CID 103556428
1-(5-bromo-4-methylthiophen-2-yl)-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 115860725

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-4-methylthiophen-2-yl)-3-methyl-N-propylpentan-1-amine?
The IUPAC name of 1-(5-bromo-4-methylthiophen-2-yl)-3-methyl-N-propylpentan-1-amine (CID 114874529) is 1-(5-bromo-4-methylthiophen-2-yl)-3-methyl-N-propylpentan-1-amine.
What is the SMILES notation for 1-(5-bromo-4-methylthiophen-2-yl)-3-methyl-N-propylpentan-1-amine?
The canonical SMILES for 1-(5-bromo-4-methylthiophen-2-yl)-3-methyl-N-propylpentan-1-amine is CCCNC(CC(C)CC)c1cc(C)c(Br)s1.
What is the InChIKey of 1-(5-bromo-4-methylthiophen-2-yl)-3-methyl-N-propylpentan-1-amine?
The InChIKey is DDMPEZVCMDAXIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24BrNS/c1-5-7-16-12(8-10(3)6-2)13-9-11(4)14(15)17-13/h9-10,12,16H,5-8H2,1-4H3.
What are the key properties of 1-(5-bromo-4-methylthiophen-2-yl)-3-methyl-N-propylpentan-1-amine?
1-(5-bromo-4-methylthiophen-2-yl)-3-methyl-N-propylpentan-1-amine has a molecular weight of 318.32 g/mol, XLogP of 5.30, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-4-methylthiophen-2-yl)-3-methyl-N-propylpentan-1-amine is sourced from PubChem (CID 114874529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).